Dataset Preview
The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
The dataset generation failed because of a cast error
Error code: DatasetGenerationCastError
Exception: DatasetGenerationCastError
Message: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 5 new columns ({'ligand_dol_will', 'solvent_dol_will', 'solvent mg', 'base_dol_will', 'total_cost_update'})
This happened while the csv dataset builder was generating data using
hf://datasets/introvoyz043/edboplus/data/examples/publication/BMS_yield_cost/data/PCI_PMI_cost_full_update.csv (at revision a551250c2a9de278bc4f53e809aa383fc60bdffe), ['hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/PCI_PMI_cost_full.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/PCI_PMI_cost_full_update.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/base_dft.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/clean_dft.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/experiments_yield_and_cost.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/ligand_dft.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/solvent_dft.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/crosscoupling_results_challenging_campaign_cvt.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round0.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/edbo_crosscoupling_photoredox_yield_ee.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B2_DFT_clean.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B3_Mordred_clean.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Virtual-experimentation/data/data.csv']
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback: Traceback (most recent call last):
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1848, in _prepare_split_single
writer.write_table(table)
~~~~~~~~~~~~~~~~~~^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 784, in write_table
self._write_table(pa_table, writer_batch_size=writer_batch_size)
~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 795, in _write_table
pa_table = table_cast(pa_table, self._schema)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2378, in table_cast
return cast_table_to_schema(table, schema)
File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2306, in cast_table_to_schema
raise CastError(
...<3 lines>...
)
datasets.table.CastError: Couldn't cast
Ligand_inchi: string
Base_inchi: string
Solvent_inchi: string
Product_inchi: string
Electrophile_inchi: string
Nucleophile_inchi: string
Precatalyst_inchi: string
Base: string
Electrophile: string
Electrophile_PCI_Name: int64
Ligand: string
Nucleophile: string
Nucleophile_PCI_Name: string
Precatalyst: string
Product: string
Solvent: string
Screen_ID: string
umol_Screen: int64
Entry: int64
Well: int64
Row: string
Column: int64
Base_Equiv: int64
Electrophile_Equiv: int64
Ligand_Equiv: double
Nucleophile_Equiv: int64
Precatalyst_Equiv: double
Concentration: double
Time_h: int64
Temp_C: int64
SampleName: string
Vial: string
AP_ISO: double
AP_PDT: double
AP_STD: double
Mean_AP: double
Max_AP: double
SD_AP: double
Z_Score_AP: double
RelYield_PDT: double
Mean_RY: double
Max_RY: double
SD_RY: double
Z_Score_RY: double
Yield: double
Mean_Yield: double
Max_Yield: double
SD_Yield: double
Z_Score_Yield: double
Product_MW: double
Solvent_density: double
Solvent_mass: double
Product_mg: double
Base_Cost: int64
Base_amt: double
Base_MW: double
Base_price.mol: double
Solvent_Cost: int64
Solvent_amt: int64
Solvent_MW: double
Solvent_price.mol: double
Ligand_Cost: double
Ligand_amt: double
Ligand_MW: double
Ligand_price.mol: double
Ligand_dol: double
Base_dol: double
Solvent_dol: double
reagent_cost: double
Nucleophile_MW: double
Electrophile_MW: int64
Precatalyst_MW: double
Nucleophile_mg: double
Electrophile_mg: double
Precatalyst_mg: double
Ligand_mg: double
Base_mg: double
Total_mg: double
PMI: double
solvent mg: double
ligand_dol_will: double
base_dol_will: double
solvent_dol_will: double
total_cost_update: double
-- schema metadata --
pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 10463
to
{'Ligand_inchi': Value('string'), 'Base_inchi': Value('string'), 'Solvent_inchi': Value('string'), 'Product_inchi': Value('string'), 'Electrophile_inchi': Value('string'), 'Nucleophile_inchi': Value('string'), 'Precatalyst_inchi': Value('string'), 'Base': Value('string'), 'Electrophile': Value('string'), 'Electrophile_PCI_Name': Value('int64'), 'Ligand': Value('string'), 'Nucleophile': Value('string'), 'Nucleophile_PCI_Name': Value('string'), 'Precatalyst': Value('string'), 'Product': Value('string'), 'Solvent': Value('string'), 'Screen_ID': Value('string'), 'umol_Screen': Value('int64'), 'Entry': Value('int64'), 'Well': Value('int64'), 'Row': Value('string'), 'Column': Value('int64'), 'Base_Equiv': Value('int64'), 'Electrophile_Equiv': Value('int64'), 'Ligand_Equiv': Value('float64'), 'Nucleophile_Equiv': Value('int64'), 'Precatalyst_Equiv': Value('float64'), 'Concentration': Value('float64'), 'Time_h': Value('int64'), 'Temp_C': Value('int64'), 'SampleName': Value('string'), 'Vial': Value('string'), 'AP_ISO': Value('float64'), 'AP_PDT': Value('float64'), 'AP_STD': Value('float64'), 'Mean_AP': Value('float64'), 'Max_AP': Value('float64'), 'SD_AP': Value('float64'), 'Z_Score_AP': Value('float64'), 'RelYield_PDT': Value('float64'), 'Mean_RY': Value('float64'), 'Max_RY': Value('float64'), 'SD_RY': Value('float64'), 'Z_Score_RY': Value('float64'), 'Yield': Value('float64'), 'Mean_Yield': Value('float64'), 'Max_Yield': Value('float64'), 'SD_Yield': Value('float64'), 'Z_Score_Yield': Value('float64'), 'Product_MW': Value('float64'), 'Solvent_density': Value('float64'), 'Solvent_mass': Value('float64'), 'Product_mg': Value('float64'), 'Base_Cost': Value('int64'), 'Base_amt': Value('float64'), 'Base_MW': Value('float64'), 'Base_price.mol': Value('float64'), 'Solvent_Cost': Value('int64'), 'Solvent_amt': Value('int64'), 'Solvent_MW': Value('float64'), 'Solvent_price.mol': Value('float64'), 'Ligand_Cost': Value('float64'), 'Ligand_amt': Value('float64'), 'Ligand_MW': Value('float64'), 'Ligand_price.mol': Value('float64'), 'Ligand_dol': Value('float64'), 'Base_dol': Value('float64'), 'Solvent_dol': Value('float64'), 'reagent_cost': Value('float64'), 'Nucleophile_MW': Value('float64'), 'Electrophile_MW': Value('int64'), 'Precatalyst_MW': Value('float64'), 'Nucleophile_mg': Value('float64'), 'Electrophile_mg': Value('float64'), 'Precatalyst_mg': Value('float64'), 'Ligand_mg': Value('float64'), 'Base_mg': Value('float64'), 'Total_mg': Value('float64'), 'PMI': Value('float64')}
because column names don't match
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1369, in compute_config_parquet_and_info_response
parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
~~~~~~~~~~~~~~~~~~~~~~~~~^
builder, max_dataset_size_bytes=max_dataset_size_bytes
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
)
^
File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1694, in _prepare_split
for job_id, done, content in self._prepare_split_single(
~~~~~~~~~~~~~~~~~~~~~~~~~~^
gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
):
^
File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1850, in _prepare_split_single
raise DatasetGenerationCastError.from_cast_error(
...<4 lines>...
)
datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
All the data files must have the same columns, but at some point there are 5 new columns ({'ligand_dol_will', 'solvent_dol_will', 'solvent mg', 'base_dol_will', 'total_cost_update'})
This happened while the csv dataset builder was generating data using
hf://datasets/introvoyz043/edboplus/data/examples/publication/BMS_yield_cost/data/PCI_PMI_cost_full_update.csv (at revision a551250c2a9de278bc4f53e809aa383fc60bdffe), ['hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/PCI_PMI_cost_full.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/PCI_PMI_cost_full_update.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/base_dft.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/clean_dft.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/experiments_yield_and_cost.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/ligand_dft.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/BMS_yield_cost/data/solvent_dft.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/edbo_crosscoupling_photoredox_yield_ee_round7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_cvt/predictions_7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/edbo_crosscoupling_photoredox_yield_ee_round7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/challenging_campaign_random/predictions_7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/crosscoupling_results_challenging_campaign_cvt.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round0.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/edbo_crosscoupling_photoredox_yield_ee_round7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_4.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_5.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_6.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/campaigns/easy_campaign/predictions_7.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Crosscoupling/edbo_crosscoupling_photoredox_yield_ee.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B1.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B2.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B2_DFT_clean.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B3.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Suzuki/data/dataset_B3_Mordred_clean.csv', 'hf://datasets/introvoyz043/edboplus@a551250c2a9de278bc4f53e809aa383fc60bdffe/data/examples/publication/Virtual-experimentation/data/data.csv']
Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.
Ligand_inchi string | Base_inchi string | Solvent_inchi string | Product_inchi string | Electrophile_inchi string | Nucleophile_inchi string | Precatalyst_inchi string | Base string | Electrophile string | Electrophile_PCI_Name int64 | Ligand string | Nucleophile string | Nucleophile_PCI_Name string | Precatalyst string | Product string | Solvent string | Screen_ID string | umol_Screen int64 | Entry int64 | Well int64 | Row string | Column int64 | Base_Equiv int64 | Electrophile_Equiv int64 | Ligand_Equiv float64 | Nucleophile_Equiv int64 | Precatalyst_Equiv float64 | Concentration float64 | Time_h int64 | Temp_C int64 | SampleName string | Vial string | AP_ISO float64 | AP_PDT float64 | AP_STD float64 | Mean_AP float64 | Max_AP float64 | SD_AP float64 | Z_Score_AP float64 | RelYield_PDT float64 | Mean_RY float64 | Max_RY float64 | SD_RY float64 | Z_Score_RY float64 | Yield float64 | Mean_Yield float64 | Max_Yield float64 | SD_Yield float64 | Z_Score_Yield float64 | Product_MW float64 | Solvent_density float64 | Solvent_mass float64 | Product_mg float64 | Base_Cost int64 | Base_amt float64 | Base_MW float64 | Base_price.mol float64 | Solvent_Cost int64 | Solvent_amt int64 | Solvent_MW float64 | Solvent_price.mol float64 | Ligand_Cost float64 | Ligand_amt float64 | Ligand_MW float64 | Ligand_price.mol float64 | Ligand_dol float64 | Base_dol float64 | Solvent_dol float64 | reagent_cost float64 | Nucleophile_MW float64 | Electrophile_MW int64 | Precatalyst_MW float64 | Nucleophile_mg float64 | Electrophile_mg float64 | Precatalyst_mg float64 | Ligand_mg float64 | Base_mg float64 | Total_mg float64 | PMI float64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 1 | 1 | A | 1 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_01 | 4:A,1 | 0 | 17.612 | 71.885 | 21.974573 | 70.656 | 23.367011 | -0.186698 | 0.245002 | 0.754786 | 3.101396 | 0.911053 | -0.559554 | 5.47 | 21.153542 | 95.07 | 28.697213 | -0.559411 | 201.204 | 0.937 | 0.14055 | 0.165088 | 100 | 36.2 | 98.14 | 271.104972 | 179 | 1,874 | 87.12 | 8.321494 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.0045 | 0.288779 | 0.293302 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 4.4163 | 151.49592 | 917.668323 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 2 | 2 | A | 2 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_02 | 4:A,2 | 0 | 3.319 | 82.286 | 21.974573 | 70.656 | 23.367011 | -0.798372 | 0.040335 | 0.754786 | 3.101396 | 0.911053 | -0.784204 | 0 | 21.153542 | 95.07 | 28.697213 | -0.784172 | 201.204 | 0.937 | 0.14055 | 0 | 100 | 36.2 | 98.14 | 271.104972 | 179 | 1,874 | 87.12 | 8.321494 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.0045 | 0.288779 | 0.293356 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 4.4163 | 151.094987 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 3 | 3 | A | 3 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_03 | 4:A,3 | 1.006 | 65.72 | 23.529 | 21.974573 | 70.656 | 23.367011 | 1.872102 | 2.793149 | 0.754786 | 3.101396 | 0.911053 | 2.237371 | 78.95 | 21.153542 | 95.07 | 28.697213 | 2.237376 | 201.204 | 0.937 | 0.14055 | 2.382758 | 100 | 36.2 | 98.14 | 271.104972 | 179 | 1,874 | 87.12 | 8.321494 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.0045 | 0.288779 | 0.293429 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 4.4163 | 153.61441 | 64.469151 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 4 | 4 | A | 4 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_04 | 4:A,4 | 0.907 | 20.218 | 65.831 | 21.974573 | 70.656 | 23.367011 | -0.075173 | 0.30712 | 0.754786 | 3.101396 | 0.911053 | -0.491372 | 7.26 | 21.153542 | 95.07 | 28.697213 | -0.49146 | 201.204 | 0.937 | 0.14055 | 0.219111 | 100 | 36.2 | 98.14 | 271.104972 | 179 | 1,874 | 87.12 | 8.321494 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.0045 | 0.288779 | 0.29336 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 4.4163 | 151.423546 | 691.080949 |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 5 | 5 | A | 5 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_05 | 4:A,5 | 1.199 | 45.497 | 44.109 | 21.974573 | 70.656 | 23.367011 | 1.006651 | 1.031468 | 0.754786 | 3.101396 | 0.911053 | 0.303694 | 28.15 | 21.153542 | 95.07 | 28.697213 | 0.303739 | 201.204 | 0.937 | 0.14055 | 0.849584 | 100 | 36.2 | 98.14 | 271.104972 | 179 | 1,874 | 87.12 | 8.321494 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.0045 | 0.288779 | 0.293316 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 4.4163 | 151.974556 | 178.881165 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 6 | 6 | A | 6 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_06 | 4:A,6 | 0.831 | 64.613 | 27.821 | 21.974573 | 70.656 | 23.367011 | 1.824727 | 2.322454 | 0.754786 | 3.101396 | 0.911053 | 1.720722 | 65.37 | 21.153542 | 95.07 | 28.697213 | 1.720601 | 201.204 | 0.937 | 0.14055 | 1.972906 | 100 | 36.2 | 98.14 | 271.104972 | 179 | 1,874 | 87.12 | 8.321494 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.0045 | 0.288779 | 0.293714 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 4.4163 | 153.2587 | 77.681711 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 7 | 7 | A | 7 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_07 | 4:A,7 | 0 | 4.676 | 81.323 | 21.974573 | 70.656 | 23.367011 | -0.740299 | 0.057499 | 0.754786 | 3.101396 | 0.911053 | -0.765364 | 0.07 | 21.153542 | 95.07 | 28.697213 | -0.765355 | 201.204 | 0.937 | 0.14055 | 0.002113 | 44 | 25 | 140.22 | 246.7872 | 179 | 1,874 | 87.12 | 8.321494 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.00198 | 0.288779 | 0.290782 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 6.3099 | 153.226545 | 72,528.400229 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 8 | 8 | A | 8 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_08 | 4:A,8 | 0 | 1.227 | 84.191 | 21.974573 | 70.656 | 23.367011 | -0.8879 | 0.014574 | 0.754786 | 3.101396 | 0.911053 | -0.81248 | 0 | 21.153542 | 95.07 | 28.697213 | -0.812397 | 201.204 | 0.937 | 0.14055 | 0 | 44 | 25 | 140.22 | 246.7872 | 179 | 1,874 | 87.12 | 8.321494 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.00198 | 0.288779 | 0.290836 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 6.3099 | 152.988587 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 9 | 9 | A | 9 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_09 | 4:A,9 | 1.248 | 41.889 | 39.946 | 21.974573 | 70.656 | 23.367011 | 0.852245 | 1.048641 | 0.754786 | 3.101396 | 0.911053 | 0.322544 | 28.64 | 21.153542 | 95.07 | 28.697213 | 0.322556 | 201.204 | 0.937 | 0.14055 | 0.864372 | 44 | 25 | 140.22 | 246.7872 | 179 | 1,874 | 87.12 | 8.321494 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.00198 | 0.288779 | 0.290909 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 6.3099 | 153.989624 | 178.151948 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 10 | 10 | A | 10 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_10 | 4:A,10 | 1.957 | 25.139 | 60.223 | 21.974573 | 70.656 | 23.367011 | 0.135423 | 0.417432 | 0.754786 | 3.101396 | 0.911053 | -0.37029 | 10.44 | 21.153542 | 95.07 | 28.697213 | -0.370194 | 201.204 | 0.937 | 0.14055 | 0.315085 | 44 | 25 | 140.22 | 246.7872 | 179 | 1,874 | 87.12 | 8.321494 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.00198 | 0.288779 | 0.29084 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 6.3099 | 153.41312 | 486.893676 |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 11 | 11 | A | 11 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_11 | 4:A,11 | 1.129 | 63.364 | 28.227 | 21.974573 | 70.656 | 23.367011 | 1.771276 | 2.244801 | 0.754786 | 3.101396 | 0.911053 | 1.635487 | 63.13 | 21.153542 | 95.07 | 28.697213 | 1.635575 | 201.204 | 0.937 | 0.14055 | 1.905301 | 44 | 25 | 140.22 | 246.7872 | 179 | 1,874 | 87.12 | 8.321494 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.00198 | 0.288779 | 0.290796 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 6.3099 | 154.923873 | 81.312008 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 12 | 12 | A | 12 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_12 | 4:A,12 | 1.15 | 66.911 | 24.42 | 21.974573 | 70.656 | 23.367011 | 1.923071 | 2.740008 | 0.754786 | 3.101396 | 0.911053 | 2.179042 | 77.41 | 21.153542 | 95.07 | 28.697213 | 2.179182 | 201.204 | 0.937 | 0.14055 | 2.33628 | 44 | 25 | 140.22 | 246.7872 | 179 | 1,874 | 87.12 | 8.321494 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.00198 | 0.288779 | 0.291194 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 6.3099 | 155.515675 | 66.565505 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 13 | 13 | B | 1 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_13 | 4:B,1 | 0 | 16.165 | 73.634 | 21.974573 | 70.656 | 23.367011 | -0.248623 | 0.219532 | 0.754786 | 3.101396 | 0.911053 | -0.587512 | 4.74 | 21.153542 | 95.07 | 28.697213 | -0.587637 | 201.204 | 0.937 | 0.14055 | 0.143056 | 167 | 25 | 191.95 | 1,282.226 | 179 | 1,874 | 87.12 | 8.321494 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.007515 | 0.288779 | 0.296317 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 8.63775 | 155.695338 | 1,088.352044 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 14 | 14 | B | 2 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_14 | 4:B,2 | 0 | 1.976 | 83.593 | 21.974573 | 70.656 | 23.367011 | -0.855846 | 0.023638 | 0.754786 | 3.101396 | 0.911053 | -0.80253 | 0 | 21.153542 | 95.07 | 28.697213 | -0.80264 | 201.204 | 0.937 | 0.14055 | 0 | 167 | 25 | 191.95 | 1,282.226 | 179 | 1,874 | 87.12 | 8.321494 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.007515 | 0.288779 | 0.296371 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 8.63775 | 155.316437 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 15 | 15 | B | 3 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_15 | 4:B,3 | 1.446 | 43.202 | 40.311 | 21.974573 | 70.656 | 23.367011 | 0.908436 | 1.071717 | 0.754786 | 3.101396 | 0.911053 | 0.347874 | 29.31 | 21.153542 | 95.07 | 28.697213 | 0.347994 | 201.204 | 0.937 | 0.14055 | 0.884593 | 167 | 25 | 191.95 | 1,282.226 | 179 | 1,874 | 87.12 | 8.321494 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.007515 | 0.288779 | 0.296444 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 8.63775 | 156.337695 | 176.733964 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 16 | 16 | B | 4 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_16 | 4:B,4 | 1.194 | 29.18 | 58.32 | 21.974573 | 70.656 | 23.367011 | 0.308359 | 0.500343 | 0.754786 | 3.101396 | 0.911053 | -0.279285 | 12.83 | 21.153542 | 95.07 | 28.697213 | -0.279245 | 201.204 | 0.937 | 0.14055 | 0.387217 | 167 | 25 | 191.95 | 1,282.226 | 179 | 1,874 | 87.12 | 8.321494 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.007515 | 0.288779 | 0.296375 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 8.63775 | 155.813101 | 402.392101 |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 17 | 17 | B | 5 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_17 | 4:B,5 | 1.212 | 63.789 | 28.556 | 21.974573 | 70.656 | 23.367011 | 1.789464 | 2.233821 | 0.754786 | 3.101396 | 0.911053 | 1.623435 | 62.82 | 21.153542 | 95.07 | 28.697213 | 1.623379 | 201.204 | 0.937 | 0.14055 | 1.895945 | 167 | 25 | 191.95 | 1,282.226 | 179 | 1,874 | 87.12 | 8.321494 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.007515 | 0.288779 | 0.296331 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 8.63775 | 157.242367 | 82.936131 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 18 | 18 | B | 6 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_18 | 4:B,6 | 0.896 | 70.656 | 22.782 | 21.974573 | 70.656 | 23.367011 | 2.08334 | 3.101396 | 0.754786 | 3.101396 | 0.911053 | 2.575712 | 87.83 | 21.153542 | 95.07 | 28.697213 | 2.575736 | 201.204 | 0.937 | 0.14055 | 2.650762 | 167 | 25 | 191.95 | 1,282.226 | 179 | 1,874 | 87.12 | 8.321494 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.007515 | 0.288779 | 0.296729 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 8.63775 | 158.158006 | 59.665108 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 19 | 19 | B | 7 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_19 | 4:B,7 | 0 | 2.276 | 84.866 | 21.974573 | 70.656 | 23.367011 | -0.843008 | 0.026819 | 0.754786 | 3.101396 | 0.911053 | -0.799039 | 0 | 21.153542 | 95.07 | 28.697213 | -0.799156 | 201.204 | 0.937 | 0.14055 | 0 | 234 | 25 | 234.03 | 2,190.5208 | 179 | 1,874 | 87.12 | 8.321494 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.01053 | 0.288779 | 0.299332 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 10.53135 | 157.445882 | null |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 20 | 20 | B | 8 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_20 | 4:B,8 | 0 | 0.902 | 84.279 | 21.974573 | 70.656 | 23.367011 | -0.901809 | 0.010703 | 0.754786 | 3.101396 | 0.911053 | -0.816729 | 0 | 21.153542 | 95.07 | 28.697213 | -0.816579 | 201.204 | 0.937 | 0.14055 | 0 | 234 | 25 | 234.03 | 2,190.5208 | 179 | 1,874 | 87.12 | 8.321494 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.01053 | 0.288779 | 0.299386 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 10.53135 | 157.210037 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 21 | 21 | B | 9 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_21 | 4:B,9 | 1.021 | 18.633 | 58.317 | 21.974573 | 70.656 | 23.367011 | -0.143004 | 0.319512 | 0.754786 | 3.101396 | 0.911053 | -0.47777 | 7.62 | 21.153542 | 95.07 | 28.697213 | -0.47787 | 201.204 | 0.937 | 0.14055 | 0.229976 | 234 | 25 | 234.03 | 2,190.5208 | 179 | 1,874 | 87.12 | 8.321494 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.01053 | 0.288779 | 0.299459 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 10.53135 | 157.576678 | 685.186977 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 22 | 22 | B | 10 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_22 | 4:B,10 | 2.451 | 22.104 | 61.036 | 21.974573 | 70.656 | 23.367011 | 0.005539 | 0.362147 | 0.754786 | 3.101396 | 0.911053 | -0.430973 | 8.85 | 21.153542 | 95.07 | 28.697213 | -0.430827 | 201.204 | 0.937 | 0.14055 | 0.267098 | 234 | 25 | 234.03 | 2,190.5208 | 179 | 1,874 | 87.12 | 8.321494 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.01053 | 0.288779 | 0.29939 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 10.53135 | 157.586583 | 589.994683 |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 23 | 23 | B | 11 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_23 | 4:B,11 | 1.231 | 56.165 | 30.193 | 21.974573 | 70.656 | 23.367011 | 1.463192 | 1.860199 | 0.754786 | 3.101396 | 0.911053 | 1.213336 | 52.05 | 21.153542 | 95.07 | 28.697213 | 1.213235 | 201.204 | 0.937 | 0.14055 | 1.5709 | 234 | 25 | 234.03 | 2,190.5208 | 179 | 1,874 | 87.12 | 8.321494 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.01053 | 0.288779 | 0.299346 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 10.53135 | 158.810922 | 101.095486 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | DMAc | ReqID_A24A8_090_001 | 15 | 24 | 24 | B | 12 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_24 | 4:B,12 | 1.348 | 46.087 | 43.213 | 21.974573 | 70.656 | 23.367011 | 1.0319 | 1.066508 | 0.754786 | 3.101396 | 0.911053 | 0.342156 | 29.16 | 21.153542 | 95.07 | 28.697213 | 0.34207 | 201.204 | 0.937 | 0.14055 | 0.880066 | 234 | 25 | 234.03 | 2,190.5208 | 179 | 1,874 | 87.12 | 8.321494 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.01053 | 0.288779 | 0.299744 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 10.53135 | 158.280911 | 179.851122 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 25 | 25 | C | 1 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_25 | 4:C,1 | 0.548 | 34.561 | 49.747 | 21.974573 | 70.656 | 23.367011 | 0.538641 | 0.694735 | 0.754786 | 3.101396 | 0.911053 | -0.065913 | 18.44 | 21.153542 | 95.07 | 28.697213 | -0.065983 | 201.204 | 0.794 | 0.1191 | 0.55653 | 100 | 36.2 | 98.14 | 271.104972 | 202 | 794 | 69.11 | 17.582141 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.0045 | 0.348115 | 0.352637 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 4.4163 | 130.437362 | 234.376045 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 26 | 26 | C | 2 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_26 | 4:C,2 | 0 | 0 | 86.122 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.794 | 0.1191 | 0 | 100 | 36.2 | 98.14 | 271.104972 | 202 | 794 | 69.11 | 17.582141 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.0045 | 0.348115 | 0.352691 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 4.4163 | 129.644987 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 27 | 27 | C | 3 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_27 | 4:C,3 | 0 | 15.644 | 58.083 | 21.974573 | 70.656 | 23.367011 | -0.270919 | 0.269339 | 0.754786 | 3.101396 | 0.911053 | -0.532842 | 6.17 | 21.153542 | 95.07 | 28.697213 | -0.532928 | 201.204 | 0.794 | 0.1191 | 0.186214 | 100 | 36.2 | 98.14 | 271.104972 | 202 | 794 | 69.11 | 17.582141 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.0045 | 0.348115 | 0.352765 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 4.4163 | 129.967866 | 697.94782 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 28 | 28 | C | 4 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_28 | 4:C,4 | 1.11 | 3.264 | 79.255 | 21.974573 | 70.656 | 23.367011 | -0.800726 | 0.041184 | 0.754786 | 3.101396 | 0.911053 | -0.783272 | 0 | 21.153542 | 95.07 | 28.697213 | -0.783126 | 201.204 | 0.794 | 0.1191 | 0 | 100 | 36.2 | 98.14 | 271.104972 | 202 | 794 | 69.11 | 17.582141 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.0045 | 0.348115 | 0.352696 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 4.4163 | 129.754434 | null |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 29 | 29 | C | 5 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_29 | 4:C,5 | 1.729 | 17.756 | 65.375 | 21.974573 | 70.656 | 23.367011 | -0.180535 | 0.271602 | 0.754786 | 3.101396 | 0.911053 | -0.530357 | 6.24 | 21.153542 | 95.07 | 28.697213 | -0.530489 | 201.204 | 0.794 | 0.1191 | 0.188327 | 100 | 36.2 | 98.14 | 271.104972 | 202 | 794 | 69.11 | 17.582141 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.0045 | 0.348115 | 0.352652 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 4.4163 | 129.863299 | 689.563034 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 30 | 30 | C | 6 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_30 | 4:C,6 | 2.512 | 54.041 | 31.869 | 21.974573 | 70.656 | 23.367011 | 1.372295 | 1.695723 | 0.754786 | 3.101396 | 0.911053 | 1.032802 | 47.3 | 21.153542 | 95.07 | 28.697213 | 1.032729 | 201.204 | 0.794 | 0.1191 | 1.427542 | 100 | 36.2 | 98.14 | 271.104972 | 202 | 794 | 69.11 | 17.582141 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.0045 | 0.348115 | 0.35305 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 4.4163 | 131.263337 | 91.950571 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 31 | 31 | C | 7 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_31 | 4:C,7 | 0.813 | 61.843 | 30.933 | 21.974573 | 70.656 | 23.367011 | 1.706184 | 1.999256 | 0.754786 | 3.101396 | 0.911053 | 1.36597 | 56.05 | 21.153542 | 95.07 | 28.697213 | 1.365863 | 201.204 | 0.794 | 0.1191 | 1.691623 | 44 | 25 | 140.22 | 246.7872 | 202 | 794 | 69.11 | 17.582141 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.00198 | 0.348115 | 0.350117 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 6.3099 | 133.466055 | 78.898244 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 32 | 32 | C | 8 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_32 | 4:C,8 | 0 | 0 | 86.042 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.794 | 0.1191 | 0 | 44 | 25 | 140.22 | 246.7872 | 202 | 794 | 69.11 | 17.582141 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.00198 | 0.348115 | 0.350171 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 6.3099 | 131.538587 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 33 | 33 | C | 9 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_33 | 4:C,9 | 0 | 17.107 | 61.833 | 21.974573 | 70.656 | 23.367011 | -0.20831 | 0.276665 | 0.754786 | 3.101396 | 0.911053 | -0.524801 | 6.39 | 21.153542 | 95.07 | 28.697213 | -0.524913 | 201.204 | 0.794 | 0.1191 | 0.192854 | 44 | 25 | 140.22 | 246.7872 | 202 | 794 | 69.11 | 17.582141 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.00198 | 0.348115 | 0.350245 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 6.3099 | 131.868106 | 683.771572 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 34 | 34 | C | 10 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_34 | 4:C,10 | 2.122 | 5.354 | 79.542 | 21.974573 | 70.656 | 23.367011 | -0.711284 | 0.06731 | 0.754786 | 3.101396 | 0.911053 | -0.754595 | 0.35 | 21.153542 | 95.07 | 28.697213 | -0.754552 | 201.204 | 0.794 | 0.1191 | 0.010563 | 44 | 25 | 140.22 | 246.7872 | 202 | 794 | 69.11 | 17.582141 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.00198 | 0.348115 | 0.350176 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 6.3099 | 131.658598 | 12,463.881489 |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 35 | 35 | C | 11 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_35 | 4:C,11 | 1.945 | 13.746 | 67.488 | 21.974573 | 70.656 | 23.367011 | -0.352145 | 0.203681 | 0.754786 | 3.101396 | 0.911053 | -0.60491 | 4.28 | 21.153542 | 95.07 | 28.697213 | -0.60506 | 201.204 | 0.794 | 0.1191 | 0.129173 | 44 | 25 | 140.22 | 246.7872 | 202 | 794 | 69.11 | 17.582141 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.00198 | 0.348115 | 0.350132 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 6.3099 | 131.697745 | 1,019.545706 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 36 | 36 | C | 12 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_36 | 4:C,12 | 3.867 | 57.346 | 28.643 | 21.974573 | 70.656 | 23.367011 | 1.513733 | 2.002095 | 0.754786 | 3.101396 | 0.911053 | 1.369085 | 56.14 | 21.153542 | 95.07 | 28.697213 | 1.368999 | 201.204 | 0.794 | 0.1191 | 1.694339 | 44 | 25 | 140.22 | 246.7872 | 202 | 794 | 69.11 | 17.582141 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.00198 | 0.348115 | 0.35053 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 6.3099 | 133.423733 | 78.746781 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 37 | 37 | D | 1 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_37 | 4:D,1 | 0.809 | 64.819 | 28.286 | 21.974573 | 70.656 | 23.367011 | 1.833543 | 2.291558 | 0.754786 | 3.101396 | 0.911053 | 1.686808 | 64.48 | 21.153542 | 95.07 | 28.697213 | 1.6868 | 201.204 | 0.794 | 0.1191 | 1.946045 | 167 | 25 | 191.95 | 1,282.226 | 202 | 794 | 69.11 | 17.582141 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.007515 | 0.348115 | 0.355652 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 8.63775 | 136.048327 | 69.910162 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 38 | 38 | D | 2 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_38 | 4:D,2 | 0 | 0 | 86.107 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.794 | 0.1191 | 0 | 167 | 25 | 191.95 | 1,282.226 | 202 | 794 | 69.11 | 17.582141 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.007515 | 0.348115 | 0.355706 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 8.63775 | 133.866437 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 39 | 39 | D | 3 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_39 | 4:D,3 | 0 | 15.766 | 60.83 | 21.974573 | 70.656 | 23.367011 | -0.265698 | 0.259181 | 0.754786 | 3.101396 | 0.911053 | -0.543991 | 5.88 | 21.153542 | 95.07 | 28.697213 | -0.544079 | 201.204 | 0.794 | 0.1191 | 0.177462 | 167 | 25 | 191.95 | 1,282.226 | 202 | 794 | 69.11 | 17.582141 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.007515 | 0.348115 | 0.35578 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 8.63775 | 134.180564 | 756.109016 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 40 | 40 | D | 4 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_40 | 4:D,4 | 1.888 | 5.887 | 78.363 | 21.974573 | 70.656 | 23.367011 | -0.688474 | 0.075125 | 0.754786 | 3.101396 | 0.911053 | -0.746017 | 0.57 | 21.153542 | 95.07 | 28.697213 | -0.746189 | 201.204 | 0.794 | 0.1191 | 0.017203 | 167 | 25 | 191.95 | 1,282.226 | 202 | 794 | 69.11 | 17.582141 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.007515 | 0.348115 | 0.355711 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 8.63775 | 133.993087 | 7,788.963499 |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 41 | 41 | D | 5 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_41 | 4:D,5 | 1.135 | 11.698 | 70.188 | 21.974573 | 70.656 | 23.367011 | -0.43979 | 0.166667 | 0.754786 | 3.101396 | 0.911053 | -0.645538 | 3.21 | 21.153542 | 95.07 | 28.697213 | -0.645482 | 201.204 | 0.794 | 0.1191 | 0.09688 | 167 | 25 | 191.95 | 1,282.226 | 202 | 794 | 69.11 | 17.582141 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.007515 | 0.348115 | 0.355667 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 8.63775 | 133.993302 | 1,383.089188 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 42 | 42 | D | 6 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_42 | 4:D,6 | 1.891 | 67.504 | 22.787 | 21.974573 | 70.656 | 23.367011 | 1.948449 | 2.962391 | 0.754786 | 3.101396 | 0.911053 | 2.423136 | 83.83 | 21.153542 | 95.07 | 28.697213 | 2.423108 | 201.204 | 0.794 | 0.1191 | 2.53004 | 167 | 25 | 191.95 | 1,282.226 | 202 | 794 | 69.11 | 17.582141 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.007515 | 0.348115 | 0.356065 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 8.63775 | 136.587284 | 53.986222 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 43 | 43 | D | 7 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_43 | 4:D,7 | 0.832 | 61.496 | 31.106 | 21.974573 | 70.656 | 23.367011 | 1.691334 | 1.976982 | 0.754786 | 3.101396 | 0.911053 | 1.34152 | 55.41 | 21.153542 | 95.07 | 28.697213 | 1.34147 | 201.204 | 0.794 | 0.1191 | 1.672307 | 234 | 25 | 234.03 | 2,190.5208 | 202 | 794 | 69.11 | 17.582141 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.01053 | 0.348115 | 0.358667 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 10.53135 | 137.668189 | 82.322316 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 44 | 44 | D | 8 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_44 | 4:D,8 | 0 | 0 | 86.419 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.794 | 0.1191 | 0 | 234 | 25 | 234.03 | 2,190.5208 | 202 | 794 | 69.11 | 17.582141 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.01053 | 0.348115 | 0.358721 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 10.53135 | 135.760037 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 45 | 45 | D | 9 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_45 | 4:D,9 | 0 | 15.373 | 63.263 | 21.974573 | 70.656 | 23.367011 | -0.282517 | 0.243001 | 0.754786 | 3.101396 | 0.911053 | -0.561751 | 5.41 | 21.153542 | 95.07 | 28.697213 | -0.56185 | 201.204 | 0.794 | 0.1191 | 0.163277 | 234 | 25 | 234.03 | 2,190.5208 | 202 | 794 | 69.11 | 17.582141 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.01053 | 0.348115 | 0.358795 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 10.53135 | 136.059979 | 833.30745 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 46 | 46 | D | 10 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_46 | 4:D,10 | 2.099 | 5.289 | 79.306 | 21.974573 | 70.656 | 23.367011 | -0.714065 | 0.066691 | 0.754786 | 3.101396 | 0.911053 | -0.755274 | 0.33 | 21.153542 | 95.07 | 28.697213 | -0.755249 | 201.204 | 0.794 | 0.1191 | 0.00996 | 234 | 25 | 234.03 | 2,190.5208 | 202 | 794 | 69.11 | 17.582141 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.01053 | 0.348115 | 0.358726 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 10.53135 | 135.879444 | 13,643.065109 |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 47 | 47 | D | 11 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_47 | 4:D,11 | 1.508 | 11.683 | 66.917 | 21.974573 | 70.656 | 23.367011 | -0.440432 | 0.174589 | 0.754786 | 3.101396 | 0.911053 | -0.636842 | 3.44 | 21.153542 | 95.07 | 28.697213 | -0.636771 | 201.204 | 0.794 | 0.1191 | 0.103821 | 234 | 25 | 234.03 | 2,190.5208 | 202 | 794 | 69.11 | 17.582141 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.01053 | 0.348115 | 0.358682 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 10.53135 | 135.893843 | 1,308.921101 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C4H7N/c1-2-3-4-5/h2-3H2,1H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuCN | ReqID_A24A8_090_001 | 15 | 48 | 48 | D | 12 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_48 | 4:D,12 | 3.001 | 62.691 | 25.777 | 21.974573 | 70.656 | 23.367011 | 1.742475 | 2.432052 | 0.754786 | 3.101396 | 0.911053 | 1.841019 | 68.53 | 21.153542 | 95.07 | 28.697213 | 1.84117 | 201.204 | 0.794 | 0.1191 | 2.068277 | 234 | 25 | 234.03 | 2,190.5208 | 202 | 794 | 69.11 | 17.582141 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.01053 | 0.348115 | 0.35908 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 10.53135 | 138.019121 | 66.731464 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 49 | 49 | E | 1 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_49 | 4:E,1 | 1.161 | 34.702 | 53.56 | 21.974573 | 70.656 | 23.367011 | 0.544675 | 0.647909 | 0.754786 | 3.101396 | 0.911053 | -0.117312 | 17.09 | 21.153542 | 95.07 | 28.697213 | -0.117208 | 201.204 | 0.88 | 0.132 | 0.515786 | 100 | 36.2 | 98.14 | 271.104972 | 164 | 880 | 116.16 | 21.648 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.0045 | 0.186364 | 0.190886 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 4.4163 | 143.296618 | 277.821601 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 50 | 50 | E | 2 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_50 | 4:E,2 | 0 | 0 | 84.734 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 100 | 36.2 | 98.14 | 271.104972 | 164 | 880 | 116.16 | 21.648 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.0045 | 0.186364 | 0.19094 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 4.4163 | 142.544987 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 51 | 51 | E | 3 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_51 | 4:E,3 | 11.007 | 0 | 65.336 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 100 | 36.2 | 98.14 | 271.104972 | 164 | 880 | 116.16 | 21.648 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.0045 | 0.186364 | 0.191014 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 4.4163 | 142.681652 | null |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 52 | 52 | E | 4 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_52 | 4:E,4 | 0 | 0 | 78.695 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 100 | 36.2 | 98.14 | 271.104972 | 164 | 880 | 116.16 | 21.648 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.0045 | 0.186364 | 0.190945 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 4.4163 | 142.654434 | null |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 53 | 53 | E | 5 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_53 | 4:E,5 | 3.494 | 12.181 | 70.259 | 21.974573 | 70.656 | 23.367011 | -0.41912 | 0.173373 | 0.754786 | 3.101396 | 0.911053 | -0.638177 | 3.41 | 21.153542 | 95.07 | 28.697213 | -0.638164 | 201.204 | 0.88 | 0.132 | 0.102916 | 100 | 36.2 | 98.14 | 271.104972 | 164 | 880 | 116.16 | 21.648 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.0045 | 0.186364 | 0.190901 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 4.4163 | 142.677888 | 1,386.354903 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 54 | 54 | E | 6 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_54 | 4:E,6 | 4.755 | 57.751 | 25.151 | 21.974573 | 70.656 | 23.367011 | 1.531066 | 2.296171 | 0.754786 | 3.101396 | 0.911053 | 1.691872 | 64.62 | 21.153542 | 95.07 | 28.697213 | 1.692027 | 201.204 | 0.88 | 0.132 | 1.95027 | 100 | 36.2 | 98.14 | 271.104972 | 164 | 880 | 116.16 | 21.648 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.0045 | 0.186364 | 0.191299 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 4.4163 | 144.686065 | 74.187696 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 55 | 55 | E | 7 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_55 | 4:E,7 | 1.126 | 59.131 | 33.552 | 21.974573 | 70.656 | 23.367011 | 1.590123 | 1.762369 | 0.754786 | 3.101396 | 0.911053 | 1.105954 | 49.22 | 21.153542 | 95.07 | 28.697213 | 1.105907 | 201.204 | 0.88 | 0.132 | 1.485489 | 44 | 25 | 140.22 | 246.7872 | 164 | 880 | 116.16 | 21.648 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.00198 | 0.186364 | 0.188366 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 6.3099 | 146.159921 | 98.391781 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 56 | 56 | E | 8 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_56 | 4:E,8 | 0 | 0 | 84.471 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 44 | 25 | 140.22 | 246.7872 | 164 | 880 | 116.16 | 21.648 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.00198 | 0.186364 | 0.18842 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 6.3099 | 144.438587 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 57 | 57 | E | 9 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_57 | 4:E,9 | 0.838 | 38.426 | 45.508 | 21.974573 | 70.656 | 23.367011 | 0.704045 | 0.844379 | 0.754786 | 3.101396 | 0.911053 | 0.09834 | 22.75 | 21.153542 | 95.07 | 28.697213 | 0.098492 | 201.204 | 0.88 | 0.132 | 0.686609 | 44 | 25 | 140.22 | 246.7872 | 164 | 880 | 116.16 | 21.648 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.00198 | 0.186364 | 0.188494 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 6.3099 | 145.261861 | 211.564274 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 58 | 58 | E | 10 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_58 | 4:E,10 | 0 | 0 | 83.981 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 44 | 25 | 140.22 | 246.7872 | 164 | 880 | 116.16 | 21.648 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.00198 | 0.186364 | 0.188425 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 6.3099 | 144.548034 | null |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 59 | 59 | E | 11 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_59 | 4:E,11 | 5.404 | 8.684 | 71.379 | 21.974573 | 70.656 | 23.367011 | -0.568775 | 0.12166 | 0.754786 | 3.101396 | 0.911053 | -0.694938 | 1.92 | 21.153542 | 95.07 | 28.697213 | -0.694964 | 201.204 | 0.88 | 0.132 | 0.057947 | 44 | 25 | 140.22 | 246.7872 | 164 | 880 | 116.16 | 21.648 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.00198 | 0.186364 | 0.188381 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 6.3099 | 144.526519 | 2,494.126308 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 60 | 60 | E | 12 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_60 | 4:E,12 | 5.473 | 53.312 | 30.84 | 21.974573 | 70.656 | 23.367011 | 1.341097 | 1.728664 | 0.754786 | 3.101396 | 0.911053 | 1.068959 | 48.25 | 21.153542 | 95.07 | 28.697213 | 1.06897 | 201.204 | 0.88 | 0.132 | 1.456214 | 44 | 25 | 140.22 | 246.7872 | 164 | 880 | 116.16 | 21.648 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.00198 | 0.186364 | 0.188779 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 6.3099 | 146.085608 | 100.318781 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 61 | 61 | F | 1 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_61 | 4:F,1 | 1.291 | 44.836 | 45.797 | 21.974573 | 70.656 | 23.367011 | 0.978363 | 0.979016 | 0.754786 | 3.101396 | 0.911053 | 0.246122 | 26.64 | 21.153542 | 95.07 | 28.697213 | 0.246242 | 201.204 | 0.88 | 0.132 | 0.804011 | 167 | 25 | 191.95 | 1,282.226 | 164 | 880 | 116.16 | 21.648 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.007515 | 0.186364 | 0.193901 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 8.63775 | 147.806293 | 183.836116 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 62 | 62 | F | 2 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_62 | 4:F,2 | 0 | 0 | 84.996 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 167 | 25 | 191.95 | 1,282.226 | 164 | 880 | 116.16 | 21.648 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.007515 | 0.186364 | 0.193955 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 8.63775 | 146.766437 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 63 | 63 | F | 3 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_63 | 4:F,3 | 20.239 | 0 | 58.693 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 167 | 25 | 191.95 | 1,282.226 | 164 | 880 | 116.16 | 21.648 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.007515 | 0.186364 | 0.194029 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 8.63775 | 146.903102 | null |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 64 | 64 | F | 4 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_64 | 4:F,4 | 0 | 0 | 79.808 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 167 | 25 | 191.95 | 1,282.226 | 164 | 880 | 116.16 | 21.648 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.007515 | 0.186364 | 0.19396 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 8.63775 | 146.875884 | null |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 65 | 65 | F | 5 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_65 | 4:F,5 | 3.28 | 13.994 | 69.382 | 21.974573 | 70.656 | 23.367011 | -0.341532 | 0.201695 | 0.754786 | 3.101396 | 0.911053 | -0.60709 | 4.22 | 21.153542 | 95.07 | 28.697213 | -0.607151 | 201.204 | 0.88 | 0.132 | 0.127362 | 167 | 25 | 191.95 | 1,282.226 | 164 | 880 | 116.16 | 21.648 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.007515 | 0.186364 | 0.193916 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 8.63775 | 146.923784 | 1,153.590802 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 66 | 66 | F | 6 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_66 | 4:F,6 | 3.36 | 64.448 | 21.111 | 21.974573 | 70.656 | 23.367011 | 1.817666 | 3.052816 | 0.754786 | 3.101396 | 0.911053 | 2.522389 | 86.43 | 21.153542 | 95.07 | 28.697213 | 2.522421 | 201.204 | 0.88 | 0.132 | 2.608509 | 167 | 25 | 191.95 | 1,282.226 | 164 | 880 | 116.16 | 21.648 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.007515 | 0.186364 | 0.194314 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 8.63775 | 149.565754 | 57.337636 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 67 | 67 | F | 7 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_67 | 4:F,7 | 0.986 | 45.861 | 45.48 | 21.974573 | 70.656 | 23.367011 | 1.022229 | 1.008377 | 0.754786 | 3.101396 | 0.911053 | 0.27835 | 27.48 | 21.153542 | 95.07 | 28.697213 | 0.278301 | 201.204 | 0.88 | 0.132 | 0.829363 | 234 | 25 | 234.03 | 2,190.5208 | 164 | 880 | 116.16 | 21.648 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.01053 | 0.186364 | 0.196916 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 10.53135 | 149.725245 | 180.530437 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 68 | 68 | F | 8 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_68 | 4:F,8 | 0 | 0 | 83.9 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.88 | 0.132 | 0 | 234 | 25 | 234.03 | 2,190.5208 | 164 | 880 | 116.16 | 21.648 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.01053 | 0.186364 | 0.19697 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 10.53135 | 148.660037 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 69 | 69 | F | 9 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_69 | 4:F,9 | 0.594 | 30.135 | 51.872 | 21.974573 | 70.656 | 23.367011 | 0.349229 | 0.580949 | 0.754786 | 3.101396 | 0.911053 | -0.190809 | 15.16 | 21.153542 | 95.07 | 28.697213 | -0.190734 | 201.204 | 0.88 | 0.132 | 0.457538 | 234 | 25 | 234.03 | 2,190.5208 | 164 | 880 | 116.16 | 21.648 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.01053 | 0.186364 | 0.197044 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 10.53135 | 149.25424 | 326.211754 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 70 | 70 | F | 10 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_70 | 4:F,10 | 1.302 | 2.527 | 76.93 | 21.974573 | 70.656 | 23.367011 | -0.832266 | 0.032848 | 0.754786 | 3.101396 | 0.911053 | -0.792421 | 0 | 21.153542 | 95.07 | 28.697213 | -0.792535 | 201.204 | 0.88 | 0.132 | 0 | 234 | 25 | 234.03 | 2,190.5208 | 164 | 880 | 116.16 | 21.648 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.01053 | 0.186364 | 0.196975 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 10.53135 | 148.769484 | null |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 71 | 71 | F | 11 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_71 | 4:F,11 | 4.829 | 6.251 | 71.968 | 21.974573 | 70.656 | 23.367011 | -0.672896 | 0.086858 | 0.754786 | 3.101396 | 0.911053 | -0.733138 | 0.91 | 21.153542 | 95.07 | 28.697213 | -0.733296 | 201.204 | 0.88 | 0.132 | 0.027464 | 234 | 25 | 234.03 | 2,190.5208 | 164 | 880 | 116.16 | 21.648 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.01053 | 0.186364 | 0.196931 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 10.53135 | 148.717486 | 5,414.929095 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOPiv | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | BuOAc | ReqID_A24A8_090_001 | 15 | 72 | 72 | F | 12 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_72 | 4:F,12 | 5.098 | 57.645 | 27.021 | 21.974573 | 70.656 | 23.367011 | 1.526529 | 2.133341 | 0.754786 | 3.101396 | 0.911053 | 1.513145 | 59.92 | 21.153542 | 95.07 | 28.697213 | 1.513264 | 201.204 | 0.88 | 0.132 | 1.808422 | 234 | 25 | 234.03 | 2,190.5208 | 164 | 880 | 116.16 | 21.648 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.01053 | 0.186364 | 0.197329 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 10.53135 | 150.659266 | 83.309816 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 73 | 73 | G | 1 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_73 | 4:G,1 | 0.533 | 8.444 | 13.506 | 21.974573 | 70.656 | 23.367011 | -0.579046 | 0.625204 | 0.754786 | 3.101396 | 0.911053 | -0.142234 | 16.44 | 21.153542 | 95.07 | 28.697213 | -0.142297 | 201.204 | 0.86 | 0.129 | 0.496169 | 100 | 36.2 | 98.14 | 271.104972 | 312 | 2,580 | 106.16 | 12.837953 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.0045 | 0.379126 | 0.383648 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 4.4163 | 140.277001 | 282.720168 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 74 | 74 | G | 2 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_74 | 4:G,2 | 0 | 0 | 15.797 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.86 | 0.129 | 0 | 100 | 36.2 | 98.14 | 271.104972 | 312 | 2,580 | 106.16 | 12.837953 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.0045 | 0.379126 | 0.383702 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 4.4163 | 139.544987 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 75 | 75 | G | 3 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_75 | 4:G,3 | 0 | 4.117 | 14.863 | 21.974573 | 70.656 | 23.367011 | -0.764222 | 0.276997 | 0.754786 | 3.101396 | 0.911053 | -0.524436 | 6.39 | 21.153542 | 95.07 | 28.697213 | -0.524565 | 201.204 | 0.86 | 0.129 | 0.192854 | 100 | 36.2 | 98.14 | 271.104972 | 312 | 2,580 | 106.16 | 12.837953 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.0045 | 0.379126 | 0.383776 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 4.4163 | 139.874506 | 725.286907 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 76 | 76 | G | 4 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_76 | 4:G,4 | 0 | 0.296 | 16.015 | 21.974573 | 70.656 | 23.367011 | -0.927743 | 0.018483 | 0.754786 | 3.101396 | 0.911053 | -0.808189 | 0 | 21.153542 | 95.07 | 28.697213 | -0.808216 | 201.204 | 0.86 | 0.129 | 0 | 100 | 36.2 | 98.14 | 271.104972 | 312 | 2,580 | 106.16 | 12.837953 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.0045 | 0.379126 | 0.383707 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 4.4163 | 139.654434 | null |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 77 | 77 | G | 5 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_77 | 4:G,5 | 1.032 | 1.952 | 15.417 | 21.974573 | 70.656 | 23.367011 | -0.856874 | 0.126613 | 0.754786 | 3.101396 | 0.911053 | -0.689502 | 2.06 | 21.153542 | 95.07 | 28.697213 | -0.689389 | 201.204 | 0.86 | 0.129 | 0.062172 | 100 | 36.2 | 98.14 | 271.104972 | 312 | 2,580 | 106.16 | 12.837953 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.0045 | 0.379126 | 0.383663 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 4.4163 | 139.637144 | 2,245.979911 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C2H4O2.K/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOAc | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 78 | 78 | G | 6 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_78 | 4:G,6 | 3.466 | 19.305 | 12.274 | 21.974573 | 70.656 | 23.367011 | -0.114245 | 1.572837 | 0.754786 | 3.101396 | 0.911053 | 0.897918 | 43.76 | 21.153542 | 95.07 | 28.697213 | 0.897873 | 201.204 | 0.86 | 0.129 | 1.320703 | 100 | 36.2 | 98.14 | 271.104972 | 312 | 2,580 | 106.16 | 12.837953 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.0045 | 0.379126 | 0.384061 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 4.4163 | 141.056497 | 106.804097 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 79 | 79 | G | 7 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_79 | 4:G,7 | 0.513 | 14.45 | 13.544 | 21.974573 | 70.656 | 23.367011 | -0.322017 | 1.066893 | 0.754786 | 3.101396 | 0.911053 | 0.342579 | 29.17 | 21.153542 | 95.07 | 28.697213 | 0.342419 | 201.204 | 0.86 | 0.129 | 0.880368 | 44 | 25 | 140.22 | 246.7872 | 312 | 2,580 | 106.16 | 12.837953 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.00198 | 0.379126 | 0.381128 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 6.3099 | 142.5548 | 161.926357 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 80 | 80 | G | 8 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_80 | 4:G,8 | 0 | 0 | 15.288 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.86 | 0.129 | 0 | 44 | 25 | 140.22 | 246.7872 | 312 | 2,580 | 106.16 | 12.837953 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.00198 | 0.379126 | 0.381182 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 6.3099 | 141.438587 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 81 | 81 | G | 9 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_81 | 4:G,9 | 0.24 | 8.143 | 14.217 | 21.974573 | 70.656 | 23.367011 | -0.591927 | 0.572765 | 0.754786 | 3.101396 | 0.911053 | -0.199792 | 14.92 | 21.153542 | 95.07 | 28.697213 | -0.199794 | 201.204 | 0.86 | 0.129 | 0.450295 | 44 | 25 | 140.22 | 246.7872 | 312 | 2,580 | 106.16 | 12.837953 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.00198 | 0.379126 | 0.381256 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 6.3099 | 142.025546 | 315.405873 |
InChI=1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PCy3 HBF4 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 82 | 82 | G | 10 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_82 | 4:G,10 | 0 | 0.276 | 15.856 | 21.974573 | 70.656 | 23.367011 | -0.928599 | 0.017407 | 0.754786 | 3.101396 | 0.911053 | -0.80937 | 0 | 21.153542 | 95.07 | 28.697213 | -0.809261 | 201.204 | 0.86 | 0.129 | 0 | 44 | 25 | 140.22 | 246.7872 | 312 | 2,580 | 106.16 | 12.837953 | 108 | 5 | 368.24 | 7,953.984 | 0.000081 | 0.00198 | 0.379126 | 0.381187 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.27618 | 6.3099 | 141.548034 | null |
InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | PPh3 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 83 | 83 | G | 11 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_83 | 4:G,11 | 2.676 | 1.549 | 14.869 | 21.974573 | 70.656 | 23.367011 | -0.87412 | 0.104176 | 0.754786 | 3.101396 | 0.911053 | -0.714129 | 1.41 | 21.153542 | 95.07 | 28.697213 | -0.71413 | 201.204 | 0.86 | 0.129 | 0.042555 | 44 | 25 | 140.22 | 246.7872 | 312 | 2,580 | 106.16 | 12.837953 | 49.6 | 100 | 262.29 | 130.09584 | 0.000037 | 0.00198 | 0.379126 | 0.381143 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.196718 | 6.3099 | 141.511127 | 3,325.397808 |
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3 | InChI=1S/C5H10O2.K/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | KOPiv | 1-Bromo-2-fluorobenzene | 7 | X-Phos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 84 | 84 | G | 12 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_84 | 4:G,12 | 3.998 | 16.155 | 12.707 | 21.974573 | 70.656 | 23.367011 | -0.249051 | 1.271347 | 0.754786 | 3.101396 | 0.911053 | 0.566993 | 35.07 | 21.153542 | 95.07 | 28.697213 | 0.566831 | 201.204 | 0.86 | 0.129 | 1.058434 | 44 | 25 | 140.22 | 246.7872 | 312 | 2,580 | 106.16 | 12.837953 | 580 | 25 | 476.72 | 11,059.904 | 0.000435 | 0.00198 | 0.379126 | 0.381541 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.35754 | 6.3099 | 142.687828 | 134.810367 |
InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | BrettPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 85 | 85 | H | 1 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_85 | 4:H,1 | 0.64 | 18.476 | 12.798 | 21.974573 | 70.656 | 23.367011 | -0.149723 | 1.443663 | 0.754786 | 3.101396 | 0.911053 | 0.756133 | 40.03 | 21.153542 | 95.07 | 28.697213 | 0.756048 | 201.204 | 0.86 | 0.129 | 1.208129 | 167 | 25 | 191.95 | 1,282.226 | 312 | 2,580 | 106.16 | 12.837953 | 29.7 | 0.1 | 536.77 | 159,420.69 | 0.000022 | 0.007515 | 0.379126 | 0.386663 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.402578 | 8.63775 | 145.210411 | 120.194417 |
InChI=1S/C14H23P/c1-13(2,3)15(14(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | PPhtBu2 | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 86 | 86 | H | 2 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_86 | 4:H,2 | 0 | 0 | 15.945 | 21.974573 | 70.656 | 23.367011 | -0.94041 | 0 | 0.754786 | 3.101396 | 0.911053 | -0.828477 | 0 | 21.153542 | 95.07 | 28.697213 | -0.828427 | 201.204 | 0.86 | 0.129 | 0 | 167 | 25 | 191.95 | 1,282.226 | 312 | 2,580 | 106.16 | 12.837953 | 102 | 1 | 222.31 | 22,675.62 | 0.000077 | 0.007515 | 0.379126 | 0.386717 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.166733 | 8.63775 | 143.766437 | null |
InChI=1S/C26H33N2P/c1-26(2,3)29(20-14-9-8-10-15-20)24-19-12-11-16-21(24)25-22(27(4)5)17-13-18-23(25)28(6)7/h8-19H,1-7H3 | InChI=1S/C2H4O2.Cs/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1 | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | InChI=1S/C11H8FN3/c1-15-7-14-10(6-13)11(15)8-4-2-3-5-9(8)12/h2-5,7H,1H3 | InChI=1S/C6H4BrF/c7-5-3-1-2-4-6(5)8/h1-4H | InChI=1S/C5H5N3/c1-8-3-5(2-6)7-4-8/h3-4H,1H3 | InChI=1S/2C3H5.2ClH.2Pd/c2*1-3-2;;;;/h2*3H,1-2H2;2*1H;;/q2*-1;;;2*+2/p-2 | CsOAc | 1-Bromo-2-fluorobenzene | 7 | tBPh-CPhos | 1-Methyl-1H-imidazole-4-carbonitrile | C | [(Allyl)PdCl]2 | C7 | p-Xylene | ReqID_A24A8_090_001 | 15 | 87 | 87 | H | 3 | 3 | 1 | 0.05 | 2 | 0.0225 | 0.1 | 24 | 105 | A24A8_090_001_87 | 4:H,3 | 0.191 | 10.164 | 13.885 | 21.974573 | 70.656 | 23.367011 | -0.505438 | 0.732013 | 0.754786 | 3.101396 | 0.911053 | -0.024996 | 19.51 | 21.153542 | 95.07 | 28.697213 | -0.024864 | 201.204 | 0.86 | 0.129 | 0.588824 | 167 | 25 | 191.95 | 1,282.226 | 312 | 2,580 | 106.16 | 12.837953 | 200 | 0.25 | 404.53 | 323,624 | 0.00015 | 0.007515 | 0.379126 | 0.386791 | 107.116 | 175 | 365.85 | 3.21348 | 2.625 | 0.123474 | 0.303398 | 8.63775 | 144.491925 | 245.390892 |
End of preview.
README.md exists but content is empty.
- Downloads last month
- 97