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| "4003ddf2-f556-4cf5-a47f-97678307ee89", |
| "4cdf1a67-aaa5-4545-b231-8cdfa438451d", |
| "cb6dc1c3-0910-4e71-9b46-1df61c1b899d", |
| "e1a15ef8-4952-47b0-9be3-6a6b9b454781", |
| "01e826e0-7427-4687-a6b5-7823c253ae34", |
| "6fadfee5-5e73-4bb4-915b-c380fb7cd7a1", |
| "604eb87b-c2b3-4c9e-b8c2-e0820d241a8f", |
| "2cc37802-161c-4ff2-bc8e-26b6e87c6397", |
| "f0ad9bcc-1d2f-4c04-ab6e-5171b0d45276", |
| "3de958af-ae5d-46f1-9415-edadc0321f90", |
| "ff68c79b-7c7a-4845-be4c-ea009120105e", |
| "09127e67-6ed7-4f3a-b903-9e4708875dd2", |
| "ab26a4c3-281f-49b9-8708-fa2eececbba3", |
| "bceca4e0-736b-4fba-8b54-d7343efa93d3", |
| "4ac7a2c0-e73f-4f6e-9b38-ed5f4fb74021", |
| "23484bc8-e149-4357-a876-b44a4ace100a", |
| "724b66bb-0525-441a-bd4f-c886f5969c20", |
| "94d60053-3c46-440f-a235-30ae0524383f", |
| "418e2836-766e-40b9-9ef9-02749c92730b", |
| "803f43c7-99db-457d-ac95-5c76a9ddc147", |
| "2a88573e-075a-4adb-a3bf-b0f0d616857b", |
| "25add1a4-5789-45e0-9e43-a64907651304", |
| "db26c134-1173-4cfc-bea9-12c87d024a6a", |
| "b0812231-e19b-4797-acf5-662845e46f1d", |
| "dc09c6d0-5da1-4e4c-b46a-185a792c8a7c", |
| "7d9624b0-3187-4f6e-99d2-f4efa8b089bf", |
| "8da28ade-d9bb-49e7-88ac-95ce8158647e", |
| "a07d1fe6-3fee-42f4-80bc-fd52e283128a", |
| "d9ffc52d-4513-4433-83f1-922ba950c25f", |
| "41a508c1-03a5-4920-a548-a589f5e40b10", |
| "4337db79-efb4-40a0-b88c-82466293b90d", |
| "1e38ffeb-dfcc-43c4-8bb1-9b9f7fc9ebcb", |
| "56d229ab-1958-4761-95e3-92f8d1ded495", |
| "bc0d0117-9f78-4b4f-9836-e8552a472892", |
| "b4e45446-2ed8-4d84-bd20-6183429f920c", |
| "a623f8cb-6226-4f1e-a774-94bcb0e9efc0", |
| "1e884cf2-0e28-4b16-9293-64168e3639b0", |
| "ae7aead3-8db9-4823-8609-f47230da3a24", |
| "92740eff-b6f2-44c4-bf8e-b0660961927b", |
| "2a95793e-7f7e-4d6c-a509-dd52220c3514", |
| "3cbab476-59a1-45e8-a0a0-4cd72de6c32d", |
| "a204de97-ba35-4b0b-9477-a3096e627a4c", |
| "6557f900-3db8-4615-9fd5-fed65d2ca614", |
| "027bc992-e929-4bf6-acf7-574c61be86fa", |
| "646db564-bcff-49ae-9016-eade575275cf", |
| "9bc6508b-0b92-426d-9086-593c9de99b5e", |
| "8c1db162-8ceb-4e96-bd17-d534f49579af", |
| "4ffab874-9661-40c2-89b1-caa1f547a876", |
| "05102754-c54c-47ef-8884-819473bd50bd", |
| "553a05e8-f411-4992-8373-31b899a02edb", |
| "9618f5de-99a9-42f1-851e-dc0f4c5c1323", |
| "c16e8b4f-898c-414b-aba4-16524402617c", |
| "ebd43622-2f3b-4509-8641-05d739cc1985" |
| ], |
| "keys": [ |
| "Azido to amino|Hydride reduction", |
| "Azido to amino|Pd with H2", |
| "Brc1ccc(OCC2CCN(CC3CC3)CC2)cc1", |
| "Brc1ccc(OCCCCN2CCCCC2)cc1", |
| "Brc1cnc(N2CCOCC2)nc1Nc1cc(C2CC2)[nH]n1", |
| "Bromination|Bromination on benzene", |
| "Bromination|Using NBS", |
| "Bromo Buchwald-Hartwig amination|Reaction with Pd(OR)2 and amine agent", |
| "Bromo Buchwald-Hartwig amination|Reaction with PdX2 and 1,5-cyclooctadiene", |
| "Bromo Miyaura boration|Reaction with Pd(OR)2 and amine agent", |
| "Bromo Sonogashira coupling|Reaction with PdX2 and 1,5-cyclooctadiene", |
| "Bromo Sonogashira coupling|Reaction with element Pd and P-ligand", |
| "Bromo Stille reaction|Reaction with Pd coordinated with 2 ligands", |
| "Bromo Stille reaction|Reaction with element Pd", |
| "Bromo Suzuki coupling|Reaction with Pd2+", |
| "Bromo Suzuki coupling|Reaction with PdX2, PPh3, and water", |
| "C#CC.COc1ccc(C=O)c(OS(=O)(=O)C(F)(F)F)c1", |
| "C#CC1CC1.COc1ccccc1C1CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc23)CC1", |
| "C#CCCCC(=O)c1cc2c(c(C(C)(C)C)c1)OCC2", |
| "C#CCCCOc1ccc2c(C)cc(=O)oc2c1", |
| "C#CCOCC(Cn1cncn1)c1ccc(Cl)cc1Cl", |
| "C#Cc1cc(Oc2cnc(NCC(C)O)nc2N)c(C(C)C)cc1OC", |
| "C(=Cc1ccccc1)CSc1nnc(-c2cccnc2)o1", |
| "C1C[C@H]2CNCCN2C1.Fc1ccc(-c2nc3ccc(I)nc3n2-c2ccncc2)cc1", |
| "C=CC1(C)CC(OC(=O)CSc2nc(N)cc(OC)n2)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O", |
| "C=CCN(c1ccc(C(=O)NCCCn2ccnc2)cc1)S(C)(=O)=O", |
| "C=CCNC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O", |
| "C=CCSc1cc(C)nc2c(-c3ccccc3)c(C)nn12", |
| "C=CC[C@@H](NNC(=O)OCc1ccccc1)C(C)(C)C", |
| "C=CCn1c(SCC(=O)NCc2ccco2)nc2sc(C)c(C)c2c1=O", |
| "CC(=NO)c1ccc(N2C(=O)C3CC=C(Cl)CC3C2=O)cc1", |
| "CC(=O)N(O)c1ccc(C=Cc2ccccc2)cc1", |
| "CC(=O)N1CCc2ccc(C(=O)CCCN3CCN(Cc4ccccc4)CC3)cc2CC1", |
| "CC(=O)N1N=C(c2cc(F)ccc2F)CC1c1ccccc1", |
| "CC(=O)NC(C)c1ccc(OC2CCN(c3ccnc(N4CCCC(F)(F)C4)n3)C2)cc1", |
| "CC(=O)NC(C)c1ccc(OC2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1", |
| "CC(=O)NCC1CN(c2ccc(C(C)=NO)cc2)C(=O)O1", |
| "CC(=O)NCC1CN(c2cccc(N)c2)C(=O)O1", |
| "CC(=O)NCc1ccc(CN2CCN(c3cnccn3)CC2)cc1", |
| "CC(=O)Nc1nc(C)c(-c2ccc(S(=O)(=O)Cl)s2)s1.NCCO", |
| "CC(=O)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1", |
| "CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NC2CCC(C)CC2)c1C", |
| "CC(=O)c1ccc(-c2cccc(COC3COc4nc([N+](=O)[O-])cn4C3)c2)cc1", |
| "CC(=O)c1ccc(N2CCN(CC(O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1", |
| "CC(=O)c1nn(C)c(=O)c2cc(F)c(F)cc12.NCCCO", |
| "CC(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc(NS(C)(=O)=O)c(F)c1", |
| "CC(C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1)c1ccccc1", |
| "CC(C)(C)C(=O)N1c2ccccc2CCc2ccccc21", |
| "CC(C)(C)Cc1nc2cc(S(=O)(=O)CC3CCNCC3)ccc2n1CC1CC1", |
| "CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1ccco1)c1ccc(NS(C)(=O)=O)cc1", |
| "CC(C)(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C(C)(C)C)cc1", |
| "CC(C)(C)Nc1cc(-c2ccccc2)nc2ccccc12", |
| "CC(C)(C)OC(=O)/N=C(/c1ccccc1F)C(F)(F)F", |
| "CC(C)(C)OC(=O)CCc1ccc(OC(C)(C)C)cc1", |
| "CC(C)(C)OC(=O)N(CCCc1ccccn1)Cc1cccc(CC=O)c1.Cl.NCC(O)c1ccc(O)c2[nH]c(=O)sc12", |
| "CC(C)(C)OC(=O)N1CCC2(CC1)CNCCO2.O=C(Cl)OCc1ccccc1", |
| "CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(I)c3c(N)ncnc32)C1", |
| "CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](COCc1ccccc1)c1nnc2ccc(CO)cn12.CN=C=O", |
| "CC(C)(C)OC(=O)NC1CCC(n2cnc3cnc4[nH]ccc4c32)CC1", |
| "CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.N", |
| "CC(C)(C)OC(=O)Nc1nc(/C=C2\\CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2=O)cs1", |
| "CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCc1nnc(C2CCN(c3ccccn3)CC2)o1", |
| "CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(Cc2ccc[n+]([O-])c2)C3=O)cc1", |
| "CC(C)(C)c1cnc(CSc2cnc(NC(=O)c3ccccc3)s2)o1", |
| "CC(C)(C)c1sc2ncnc(Cl)c2c1-c1ccc(Cl)c(Cl)c1.Oc1ccccc1OC(F)(F)F", |
| "CC(C)(C)n1ncc2c1NC(=O)CC2c1cccs1", |
| "CC(C)(O)[C@H](N)c1ccccc1.O=C(Cl)C(Cl)(Cl)Cl", |
| "CC(C)=Cc1ccc2cc(NC(=O)C3CC3)ncc2c1", |
| "CC(C)C(=O)Cl.Oc1ccc(OCc2ccccc2)cc1", |
| "CC(C)C(=O)NC1CCN(Cc2ccccc2)CC1", |
| "CC(C)C(CO)Nc1nc(NCc2cccc(I)c2)c2ncn(C(C)C)c2n1", |
| "CC(C)C(CO)Nc1nc(NCc2ccccc2O)c2ncn(C(C)C)c2n1", |
| "CC(C)C(NC(=O)c1cc2ccccc2s1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1", |
| "CC(C)C1CC(=O)N(c2ccccc2C(=O)OCC2CCCN(CCCc3ccccc3)C2)C1=O", |
| "CC(C)CC(NC(c1ccc(-c2ccc(C#N)cc2)cc1)C(F)(F)F)C(=O)NCC#N", |
| "CC(C)CNC(=O)C(=O)NCC(c1ccc2c(c1)OCO2)N1CCOCC1", |
| "CC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1", |
| "CC(C)N(C=O)C1CCC2C3CCC4N(C)C(=O)CCC4(C)C3CCC21C", |
| "CC(C)N(CCO)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1", |
| "CC(C)Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1", |
| "CC(C)Oc1ccc(Nc2ncc(C(=O)NC(C)C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F", |
| "CC(C)c1ccccc1OCCN1CCC(N(CC2CC2)S(=O)(=O)c2cnn(C)c2)CC1", |
| "CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2ccccc2)CC1", |
| "CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N(CCO)CCO)nc21", |
| "CC(C)n1cnc2c(NCc3ccccc3)nc(I)nc21", |
| "CC(C)n1cnc2c(NCc3ccccc3)nc(N)nc21", |
| "CC(C)n1cnc2c(NCc3ccccc3)ncnc21", |
| "CC(C)n1cnc2c(Nc3cc(N)cc(Cl)c3)nc(NC3CCCNC3)nc21", |
| "CC(C)n1cnc2c(Nc3cccc(Cl)c3)ncnc21", |
| "CC(CCc1ccc(-c2ccc(C#N)cc2)cc1)(C(=O)NO)S(C)(=O)=O", |
| "CC(CCn1ccc(-c2ccc(F)cc2)cc1=O)(C(=O)NO)S(C)(=O)=O", |
| "CC(CN(C)C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(C(=O)Nc2nccs2)c1", |
| "CC(CO)COc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12", |
| "CC(N)C(NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)NO", |
| "CC(NC(=O)Nc1cc2[nH]nc(C(=O)N3CC(=O)N(C)C3)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(C(=O)NCC(O)C(F)F)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(CNCC(F)(F)F)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(CNCC(F)F)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(NC(C)c3ccccn3)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(NC3CNC3)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(OC(F)F)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(OC3CCNC3)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(OCC3CCCO3)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(OCC3CCOCC3)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(OCCOC(F)(F)F)c2cn1)c1ccc(F)cc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(OCc3ccccc3)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(OCc3cncs3)c2cn1)c1ccccc1", |
| "CC(NC(=O)Nc1cc2[nH]nc(S(C)(=O)=O)c2cn1)c1ccccc1", |
| "CC(c1cc(C(=O)O)cc2c(=O)cc(N3CCOCC3)oc12)N(C)c1cc(F)cc(F)c1.CO", |
| "CC(c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12", |
| "CC1(C)CCN(c2ccc(C#Cc3cc(F)ccc3F)cn2)C(=O)O1", |
| "CC1(C)COC(COCc2ccccc2)OC1", |
| "CC1(C)N=C(N)N=C(N)N1c1ccc(I)cc1", |
| "CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CCOCCOc1ccc(Br)c(C)c1", |
| "CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1c(I)ccc(-c2ccn(C)n2)c1OC", |
| "CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2ccc(CC(=O)Nc3ccc(Cl)cn3)s2)ccn1", |
| "CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cn1cc(-c2ccc3c(N4CC=C(OS(=O)(=O)C(F)(F)F)CC4)cnn3c2)cn1", |
| "CC1(C)OB(C2=CCC3(CC2)OCCO3)OC1(C)C", |
| "CC1(C)OB(c2ccc(Oc3ccccc3)cc2)OC1(C)C.Clc1ncnc2c1c(I)cn2C1CCC2(CC1)OCCO2", |
| "CC1(C)[C@H](C(=O)[O][Na])N2C(=O)C[C@H]2S1(=O)=O.O=C(OCCl)[C@H]1CC[C@H](C(=O)OCc2ccccc2)CC1", |
| "CC1=C(C(N)=O)C(c2ccc[nH]2)n2nc(SCc3ccccc3)nc2N1", |
| "CC1C2Cc3ccc(O)cc3C1(C)CCN2CC(=O)O", |
| "CC1CC(C)CN(C(C(=O)NC2CCCCC2)c2ccnc3ccccc23)C1", |
| "CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NCc3ccco3)cc2)C1", |
| "CC1CCC(NC(=O)c2cc3cccnc3n(CCCCO)c2=O)CC1", |
| "CC1CCCCN1CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1F", |
| "CC1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C(C)CN1", |
| "CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)CCN1", |
| "CCC(=O)N(c1ccc(Cl)c(Cl)c1)C1CCCC1N", |
| "CCC(=O)NCCCCN1CCN(c2ccccc2OC)CC1", |
| "CCC(C)(C)Nc1c(C#N)cnc2cnc(NCc3cccnc3)cc12", |
| "CCC(C)C(=O)N1CCC(NC(=O)NC2CCCCCC2)CC1", |
| "CCC(C)CC(=O)Cl.C[C](C)(C)[Mg][Cl]", |
| "CCC(C)Nc1ncnc2cc(OC)c(OC)cc12", |
| "CCC(CNC(=O)c1ccccc1Br)N1CCc2ccccc2C1", |
| "CCC(NC(=O)c1cc(C(=O)N2CCCC2C)n2c1COCC2)c1ccc(C#N)cc1Cl", |
| "CCC(O)COc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12", |
| "CCC(O)c1ccc(F)cc1.COC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1", |
| "CCC(O)c1ccc(OC)c(OC)c1", |
| "CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2snnc2C)cc1", |
| "CCC=C(C)C=O.CC[CH](C)[Mg][Br]", |
| "CCC=CCOc1nc(C(F)(F)F)ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1", |
| "CCCBr.OCc1cc2cc(Br)ccc2o1", |
| "CCCC(=O)Nc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1", |
| "CCCC1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1", |
| "CCCCCC(=O)N1CC(O)C(n2cc(C3CC3)nn2)CC1c1ccc(C)cc1", |
| "CCCCCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1", |
| "CCCCCCOc1ccc(C(=O)CCN2CCCCC2)cc1", |
| "CCCCCOC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2", |
| "CCCCNC(=O)Cc1c(OC)ccc2cc(Br)ccc12", |
| "CCCCNc1nc(N)c2nc(O)n(Cc3cnccn3)c2n1", |
| "CCCCOc1ccc(C(=O)N2CCCC2)cc1", |
| "CCCCOc1ccccc1NC(=O)NC1CC2CCC(C1)N2C", |
| "CCCN1CCC(COc2nc3ccsc3n3cccc23)CC1", |
| "CCCNC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21", |
| "CCCNC(=O)N1C(C#N)C(c2ccc(C3=CCCCC3)cc2)C1CO", |
| "CCCNC(=O)c1ccc(NC(=O)N2Cc3ccc(-c4ccncc4)cc3C2)cc1", |
| "CCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F", |
| "CCCONC(=O)c1ccccc1Sc1ccc2c(C=Cc3ccccn3)n[nH]c2c1", |
| "CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccc(Br)s1.Fc1ccc(I)cc1", |
| "CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cnccn1.COc1cccc(Br)c1C(=O)N[C@H]1CCC[C@@H]1COc1ccc(F)cc1", |
| "CCCc1c(C(=O)Nc2cc(O)ccc2C)cnn1-c1ccccc1", |
| "CCN(C)c1ncnc2c1ncn2Cc1ccccc1", |
| "CCN(CC)CCCNC1c2cc(OC)ccc2OCc2ncccc21", |
| "CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1O", |
| "CCN(CC)CCn1c(NC(=O)c2ccc(C)cc2)nc2ccccc21", |
| "CCN(CC)c1n[n+]([O-])c2ccccc2[n+]1[O-]", |
| "CCN1CCN(C2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1", |
| "CCN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1", |
| "CCNC(=O)NC1CC(C)(C)Oc2ccc(F)cc21", |
| "CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-c3cccnc3)n2n1", |
| "CCNCCC(=O)Nc1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c1C", |
| "CCNc1ccc(-n2ccnc2)cc1.CS(=O)(=O)OCC1CCN(CC2CC2)C1", |
| "CCNc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1", |
| "CCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1", |
| "CCNc1nc2cc(Cl)c(C#CCCCC#N)cc2nc1NCC", |
| "CCO.Cc1ccc2c(C(=O)O)cccc2n1", |
| "CCOC(=O)C(C#N)=Cc1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1", |
| "CCOC(=O)C(NC(=O)c1ccccc1)c1ccccc1", |
| "CCOC(=O)C1(C(=O)NC(Cc2ccc(-c3ccccc3OC)cc2)C(=O)O)CCCO1", |
| "CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(F)cccc1Cl", |
| "CCOC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1.O=C1CC(OCc2ccccc2)C1", |
| "CCOC(=O)CCC(C)(C)c1cccs1.[CH3][Mg][Br]", |
| "CCOC(=O)CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O", |
| "CCOC(=O)Cc1ccc(OC)c(OC)c1.CI", |
| "CCOC(=O)Cl.c1ccc2c(c1)CCNCC2", |
| "CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CC(C)CC4)cc2)CC1", |
| "CCOC(=O)Nc1ncc(Oc2cc(I)c(OC)cc2C(C)C)c(N)n1", |
| "CCOC(=O)c1cc(-c2cccc(F)c2)nn1C(CN)CO", |
| "CCOC(=O)c1cc2cc(C3(Cc4ccccc4)CCNC3)ccc2[nH]1", |
| "CCOC(=O)c1cn[nH]c1.Fc1cc2nc(CCl)cn2cc1C1CC1", |
| "CCOC(=O)c1cnc2ccnn2c1SCC", |
| "CCOC(=O)c1nn(Cc2ccccc2)c(C)c1-c1ccc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)nc1C(=O)O", |
| "CCOCCCNC(=O)c1cnc2sc(N3CCCCCC3)nn2c1=O", |
| "CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2O)n1", |
| "CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCC(=O)NCCN1CCOCC1", |
| "CCOc1cc2c(O)cc(C)nc2nc1C.O=P(Cl)(Cl)Cl", |
| "CCOc1ccc(C#Cc2ccc(C(C)NC(=O)CCO)cc2)cc1", |
| "CCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)cc1OCC", |
| "CCOc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12", |
| "CCS(=O)(=O)N(C)C(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1", |
| "CCS(=O)(=O)NC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1", |
| "CCSCCSc1nnc(-c2ccc([N+](=O)[O-])cc2)s1", |
| "CCSc1nnc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)s1", |
| "CCc1[nH]c2ccc(OC)cc2c1C1=CCNCC1", |
| "CCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCN(CC)CC2)sc1C", |
| "CCc1cc(OC)cc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12", |
| "CCc1ccc(OC(C)=O)c(C(=O)c2ccc(C)cc2)c1", |
| "CCc1nc(CN(C)C2CCN(CCn3cc(C#N)cn3)C2)no1", |
| "CCc1nc2ncc(C(F)(F)F)cn2c1C(=O)c1ccc(O)c(C(F)(F)F)c1.O=C1CCC(=O)N1Br", |
| "CCn1c(=O)ccc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21", |
| "CCn1ncc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1C", |
| "CCn1nnc(-c2sc(NC(=O)C3CC3)nc2-c2ccccc2)n1", |
| "CI.CNC(=O)c1cc(Oc2ccc(NC(=O)c3nc(S(C)(=O)=O)[nH]c3-c3ccc(F)cc3)cc2)ccn1", |
| "CN(C)C1CCN(CCc2c(COc3ccccc3CO)sc3ccccc23)CC1", |
| "CN(C)CCCNc1nc2cc(-c3cnn(C)c3)sc2c(=O)n1C", |
| "CN(C)CCNC(=O)c1cc(F)cc(-c2ccc3ncnc(N)c3n2)c1", |
| "CN(C)Cc1ccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc2c1", |
| "CN(C)S(=O)(=O)N1CC12[C@@H]1CC[C@H]2Cc2ccc(-c3cc(-c4ccc(F)cc4)n(C)n3)cc2C1", |
| "CN(C)c1ccc(C(=O)NCc2ccccc2)cc1", |
| "CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(C#N)nn3)cccc12", |
| "CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1ncccn1", |
| "CN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=N)N", |
| "CN(CC(F)(F)F)C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1", |
| "CN(CCO)C(=O)OC(C)(C)C.O=C(Cl)Cl", |
| "CN(c1ccc(C=CC(=O)NO)cc1)S(=O)(=O)c1ccccc1", |
| "CN1C(=CC=O)Sc2ccc3ccccc3c21.O=C1CSC(=S)N1CCCN1CC=CC1.[O-][Cl+3]([O-])([O-])O", |
| "CN1C(=O)C(Cc2ccc(-c3ccccc3[N+](=O)[O-])cc2)NC(=O)c2cc(Cl)ccc21", |
| "CN1C(C)(C)CN(c2cc(F)ccc2CNC(=O)c2nc(C3CCOC3)n(C)c(=O)c2O)S1(=O)=O", |
| "CN1CC(=O)N(C)C(C)(Cc2ccccc2)C1=O.Clc1cccc(CBr)c1Cl", |
| "CN1CC(=O)N(CCO)CC1=O.O=C1NC(=O)c2ccccc21", |
| "CN1CC2C=C(c3cncc(Oc4ccccc4)c3)CC(C2)C1", |
| "CN1CC=C(c2c[nH]c3ccc(-c4ccccc4)cc23)CC1", |
| "CN1CCC(c2c[nH]c3ccc(N=C(N)c4cccs4)cc23)CC1", |
| "CN1CCCN(CCn2ccc3ccc(C(N)=O)cc32)CC1", |
| "CN1CCN(CC(=O)N(C)c2ccc(Sc3ccccc3)cc2)CC1", |
| "CN1CCN(CC(=O)Nc2ccc(Sc3ccc(Cl)cc3)cc2)CC1", |
| "CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1", |
| "CN1CCN(CCOc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)CC1", |
| "CN1CCN(c2cc(-c3cccnc3)nc(N)n2)CC1", |
| "CN1CCN(c2ncc3nc(CCc4ccccc4)c(=O)n(C)c3n2)CC1", |
| "CNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1", |
| "CNC(=O)c1cccc(Nc2ncnc(N3CCN(c4cccc(C)n4)CC3)n2)c1", |
| "CNC(C)C(=O)NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(c1ccccc1)c1ccccc1", |
| "CNCC1CCC(c2nnn3cnc4[nH]ccc4c23)CC1", |
| "CNCc1cc(C(=O)N2CCCN(C3CC3)CC2)ccc1Oc1ccccc1C#N", |
| "CNc1cc(N(CCCN(C)C)C(=O)Nc2c(Cl)cccc2Cl)ncn1", |
| "CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C#N", |
| "CNc1ncnc(-c2cccnc2Oc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)n1", |
| "CNc1nn2c(C)cc(CO)nc2c1S(=O)(=O)c1ccccc1", |
| "CO.O=C(O)CCc1c[nH]cn1", |
| "CO2H-Et deprotection|Deprotection with OH-", |
| "CO2H-Et deprotection|Deprotection with TMSI", |
| "CO2H-Me deprotection|Deprotection with OH-", |
| "CO2H-Me deprotection|Deprotection with TMSI", |
| "CO2H-tBu deprotection|Deprotection with TMSI", |
| "CO2H-tBu deprotection|Deprotection with water", |
| "COC(=O)C1C(c2ccc(C#CCCCCO)cc2)CC2CCC1N2C", |
| "COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1", |
| "COC(=O)CCCCCBr.Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1", |
| "COC(=O)CCn1c(C(=O)OC)c(C)c2c(-c3c(CN(C)Cc4cc(CSc5cc(O)c6ccccc6c5)n(C)n4)nn4c3CCCC4)c(Cl)ccc21", |
| "COC(=O)CNC(=O)C(c1ccccc1)N1CCC1=O", |
| "COC(=O)CSc1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1", |
| "COC(=O)c1ccc(-c2ccc(C=C3SC(=O)NC3=O)o2)c(O)c1", |
| "COC(=O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1.[CH3][Mg][Cl]", |
| "COC(=O)c1ccc(=O)n(Cc2ccc3c(c2)OCO3)c1", |
| "COC(=O)c1ccc2ncc(-c3cnn(C)c3)nc2n1.COc1cc(OC)c[c]([Mg][Br])c1", |
| "COC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1", |
| "COC(C)(C)COc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12", |
| "COC1CCCN(c2nccc(N3CCC(Oc4ccc(C(C)NC(C)=O)cc4)C3)n2)C1", |
| "COCC(C)NC(=O)c1cc2cc(OC)ccc2[nH]1", |
| "COCC(O)CNC(=O)c1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12", |
| "COCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O", |
| "COCCNC1CCC(Nc2cc(-c3nc(NCC4CCOCC4)ccc3Cl)c(Cl)cn2)CC1", |
| "COCCO.Cc1ccc(S(=O)(=O)Cl)cc1", |
| "COCCOCCO.COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1O", |
| "COCCOc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12", |
| "COCCSc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12", |
| "COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(OCc3ccccc3)nc21", |
| "COCCn1c(=S)[nH]c2cc(C(=O)NCCCN3CCOCC3)ccc2c1=O", |
| "COCCn1c(SCC(=O)Nc2cc(C)on2)nc2c(c1=O)SCC2", |
| "COCc1nc(NC(=O)NC(C)c2ccccc2)cc2[nH]nc(OC)c12", |
| "CON(C)C(=O)Cc1ccc(Cl)cc1Cl.[CH3][Mg][Br]", |
| "CON(C)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C.[CH3][Mg][Br]", |
| "CON=C(CCN1CCN(c2ccccn2)CC1)c1ccccc1", |
| "COc1c(C=O)cc(S(=O)(=O)NC(=O)Cc2ccccc2)cc1-c1cccc(NC(N)=O)c1", |
| "COc1c(N2CCCC(N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn(C3CC3)c12", |
| "COc1c(O)ccc2c(=O)cc(-c3ccc(CCCCO)cc3)oc12.O=S(Br)Br", |
| "COc1c(O)cccc1C=O.COc1cc(C=CC(=O)CC(C)=O)ccc1O", |
| "COc1cc(-c2nnc(SCc3ccccc3Cl)o2)cc(OC)c1OC", |
| "COc1cc(Cc2cnc(N)nc2N)cc(OC)c1-n1cccc1", |
| "COc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccc(-c2csnn2)cc1", |
| "COc1cc(F)cc(N2CCc3cc(OC)ncc3C2C)c1", |
| "COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(C(=S)C(C)C)CC2)CC1OC", |
| "COc1cc(N)c(Cl)cc1C(=O)NC1CCNCC1OC", |
| "COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(N)=O)CC1", |
| "COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CC2CCCCC2)CC1", |
| "COc1cc(OC)c(-c2ccnc(N)n2)c(OC)c1", |
| "COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccccc3)o2)c1", |
| "COc1cc2c(Nc3ccc4c(c3)OCO4)ncnc2c(OC)c1OC", |
| "COc1cc2c(cc1OC)C(c1ccc([N+](=O)[O-])cc1)=NNC(=O)C2", |
| "COc1cc2c(cc1OC)C1CC(N)C(N3CC(C)CCC3=O)CN1CC2", |
| "COc1cc2c(cc1OC)C1CC(N)C(N3CCC(C)CC3=O)CN1CC2", |
| "COc1cc2c(cc1OCc1ccccc1)CCNC2/C=C/c1cccc(S(C)(=O)=O)c1", |
| "COc1cc2c3c(n(C)c2cc1OC)C(=O)NCC=C3c1ccc(O)cc1", |
| "COc1cc2nc(C(C)(C)C)oc(=O)c2cc1OC", |
| "COc1cc2nc(N(C)CC3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC", |
| "COc1cc2ncnc(N(C)c3ccc(C)c(Cl)c3)c2cc1OC", |
| "COc1cc2ncnc(N(C)c3ccc(F)c(Cl)c3)c2cc1OC", |
| "COc1cc2ncnc(N3CCN(C(=O)NCc4ccc(Br)cc4)CC3)c2cc1OC", |
| "COc1cc2ncnc(N3CCN(C(=O)Nc4ccccn4)CC3)c2cc1OC", |
| "COc1cc2ncnc(NC(C)C)c2cc1OC", |
| "COc1cc2ncnc(Nc3cc(Cl)ccc3Cl)c2cc1OCCCCCC(=O)NO", |
| "COc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2c(OC)c1OC", |
| "COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCNC(C)C", |
| "COc1cc2ncnc(Nc3ccc(N)cc3)c2cc1OC", |
| "COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCC(=O)NO", |
| "COc1ccc(-c2c[nH]c3ncc(-c4cncc(N)c4)cc23)cc1OC", |
| "COc1ccc(-c2cc(C3CCNCC3)oc2-c2ccc(OC)cc2)cc1", |
| "COc1ccc(-c2cc3c(NCc4ccccc4)ncnc3o2)cc1", |
| "COc1ccc(-c2nnc(SCC#N)o2)cc1", |
| "COc1ccc(-n2c(=O)c(C)nc3cnc(N4CCNCC4)nc32)cc1", |
| "COc1ccc(-n2c(=O)cnc3cnc(Oc4cccc(Cl)c4)nc32)cc1", |
| "COc1ccc(C(=O)NC(C)c2nccs2)cc1OC1CCN(C(C)C)CC1", |
| "COc1ccc(C(=O)NC(CC(=O)O)c2ccccc2Cl)nc1-c1ccc(Cl)cc1Cl", |
| "COc1ccc(C(=O)NO)cc1NC(=O)c1ccccc1Cl", |
| "COc1ccc(C(=O)Nc2cccc(OC(=O)c3ccco3)c2)cc1", |
| "COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OC", |
| "COc1ccc(C(CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1", |
| "COc1ccc(C(O)(Cn2ccnc2)c2ccc(Br)cc2)cc1", |
| "COc1ccc(C2CC2COc2cc(NCc3nnc(C)s3)c(=O)n(C)n2)nc1", |
| "COc1ccc(C=CC(=O)Nc2cc(-c3c(-c4ccc(F)cc4)nc(SC)n3C)ccn2)cc1", |
| "COc1ccc(CC2NCCc3c2[nH]c2ccc(SC)cc32)cc1OC", |
| "COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC", |
| "COc1ccc(CN2CCC(C(=O)Nc3cc(Cl)c(N)cc3OC)CC2)cc1", |
| "COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc3nc(C)sc3c2)cc1", |
| "COc1ccc(Cn2nc(-c3nc4c(CO)cccc4[nH]3)c3cc(-c4cncc5ccccc45)ccc32)cc1.NCC1CC1", |
| "COc1ccc(N(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC", |
| "COc1ccc(NC(=O)CSc2nc3ccccc3nc2N2CCCC2)cc1Cl", |
| "COc1ccc(NC(=O)Cc2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)cc1", |
| "COc1ccc(NC(=O)Nc2ccc(C=CC(=O)NO)cc2)cc1OC", |
| "COc1ccc(NC(=O)Nc2ccc(N(C)c3ncnc4cc(OC)c(OC)cc34)cc2)cc1", |
| "COc1ccc(NC(=O)Nc2nnc(N3CCCC3)s2)cc1", |
| "COc1ccc(Nc2nccc(N3CCN(C)CC3)n2)cc1", |
| "COc1ccc(OC)c(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1", |
| "COc1ccc(OC)c(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1", |
| "COc1ccc(OC)c2oc(-c3cn4nc(SC)sc4n3)cc12", |
| "COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1", |
| "COc1ccc(SC)cc1CNC1CCCNC1c1ccccc1", |
| "COc1ccc2c(CSCCBr)cc(=O)oc2c1", |
| "COc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1", |
| "COc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1", |
| "COc1cccc(C(=O)OCC(C)C2CCC3C(O)CCCC23C)c1", |
| "COc1cccc(C(C)Nc2cc(-c3ccccc3F)nc(C)n2)c1", |
| "COc1cccc(CNC(=O)c2nc3cccc(-c4ccccc4)c3c(=O)[nH]2)c1", |
| "COc1cccc(Cl)c1-c1ccc(COC2COc3nc([N+](=O)[O-])cn3C2)cc1", |
| "COc1cccc(Oc2ccc(-c3nc([C@@H]4CCCCN4C(=O)OCc4ccccc4)n4ccncc34)cc2)c1F", |
| "COc1ccccc1-c1ccc(CC(NC(=O)Cn2cnnn2)C(=O)O)cc1", |
| "COc1ccccc1N(C)c1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1", |
| "COc1ccccc1N1CCN(C2CCCN(C(=O)c3csc(C)n3)C2)CC1", |
| "COc1ccccc1N1CCN(CCCCNC(=O)C2CC3CCCC3C2)CC1", |
| "COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1", |
| "COc1cnc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1", |
| "COc1cscc1C(=O)N1CCC(F)(CNCc2ccc(C)cn2)CC1", |
| "COc1n[nH]c2cc(NC(=O)NC(C)c3ccc(F)cc3)ncc12", |
| "COc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)nc(COCC(C)O)c12", |
| "COc1n[nH]c2cc(NC(=O)NC(C)c3ccccc3)ncc12", |
| "COc1nc(NC(C)=O)cc(N)c1C#N", |
| "COc1nc(OCC(=N)NO)nc(N2CCOCC2)n1", |
| "COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1", |
| "CS(=O)(=O)Cl.O=[N+]([O-])c1ccccc1S(=O)(=O)N(Cc1ccc(CO)cc1)Cc1ccccn1", |
| "CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ncccc4Cl)c3c2)cc1", |
| "CS(=O)(=O)Nc1ccc2ccc3ncc(Cl)cc3c(=O)c2c1", |
| "CS(=O)(=O)c1ccc(C=C2C=C(CC(=O)O)c3cc(F)ccc32)cc1", |
| "CS(=O)(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(CN4CCNCC4)c3)c2)c1", |
| "CSC1OC(n2cnc3c(N)nc(F)nc32)C(O)C1O", |
| "CSc1ccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)cc1", |
| "CSc1ccc(Oc2ncccc2C(=NO)NCc2ccncc2)cc1C", |
| "CSc1ccccc1NC(=O)N1CCCC(C(=O)c2ccc3c(c2)OCO3)C1", |
| "CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(OC(C)C)c2)[nH]1", |
| "CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(OCc3ccccc3)c2)[nH]1", |
| "CSc1nc(N)cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1", |
| "CSc1nc2c(cnn2-c2ccccc2)c(=O)n1N", |
| "CSc1nccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)n1", |
| "C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N=C=O", |
| "C[C@H]1C(=O)N(CCCN2CCC3(CC3)[C@H](O[Si](C)(C)C(C)(C)C)C2)CCN1c1ccc(C(F)(F)F)c(Cl)c1", |
| "C[N+]([O-])=Cc1ccc2c(c1)OCO2", |
| "Carboxy ester to carbamoyl|Condensation using DCC and HOBt", |
| "Carboxylic acid + amide condensation|Williamson ether synthesis type", |
| "Carboxylic acid + amidine condensation|Condensation using DCC and HOBt", |
| "Carboxylic acid + amine condensation|Condensation using BOP", |
| "Carboxylic acid + imine condensation|Condensation using BOP", |
| "Carboxylic acid + thioamide condensation|Condensation using DCC and HOBt", |
| "Carboxylic acid + thioamide condensation|Thionyl chloride", |
| "Carboxylic acid + thiol condensation|Condensation using CDI", |
| "Carboxylic acid to acid chloride|SOCl2 or POCl3", |
| "Cc1[nH]c(C=C2C(=O)Nc3ccccc32)c(C)c1Br", |
| "Cc1[nH]c2ccc(Cl)cc2c1-c1ccnc(N2CCCC2)n1", |
| "Cc1c(-c2ccc(O)cc2)n(Cc2ccc(O)cc2)c2ccc(O)cc12", |
| "Cc1c(F)ccc(C(=O)Nc2cc(C(=O)O)ccc2N2CCN(C)CC2)c1Cl", |
| "Cc1c(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)c(=O)n(-c2ccccc2)n1C", |
| "Cc1c(Sc2cccc(Cl)c2)n(COCCO)c(=O)[nH]c1=O", |
| "Cc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)cc(C)n1", |
| "Cc1cc(-c2n[nH]c3cc(NC(=O)NC(CN)c4ccccc4)ncc23)ccn1", |
| "Cc1cc(-c2n[nH]c3cc(NC(=O)NCC4CCCCO4)ncc23)ccn1", |
| "Cc1cc(C(=O)N2CCC3(CC2)CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCO3)no1", |
| "Cc1cc(C(=O)N2CCC3CN(c4ncccn4)CCOC3C2)c(C)o1", |
| "Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2cnn(C)c2)cc1", |
| "Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCC1=CCCCC1", |
| "Cc1cc(C)n(-c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)n1", |
| "Cc1cc(CCCOc2c(C)cc(-c3cccc(C#N)c3)cc2C)on1", |
| "Cc1cc(N)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1", |
| "Cc1cc(Nc2nc(CCN)cn3c(-c4cn[nH]c4)cnc23)sn1", |
| "Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F", |
| "Cc1ccc(-c2csc3ncnc(NCCCC(=O)O)c23)cc1C", |
| "Cc1ccc(-c2nc3ccc(C)cn3c2Cc2ccsc2)cc1", |
| "Cc1ccc(-c2nc3ccccc3c(=O)n2CCN)cc1", |
| "Cc1ccc(-c2nnc(SCc3ccccc3)o2)c(O)c1", |
| "Cc1ccc(C)c2c(C(C)C)cc(O)nc12.O=P(Cl)(Cl)Cl", |
| "Cc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)cc1", |
| "Cc1cccc(CCNC(=O)c2nn(C)c3c2CSc2ccccc2-3)c1", |
| "Cc1cccc2[nH]c(-c3ccccn3)nc12", |
| "Cc1ccccc1-c1ccc(CC2NC(=O)c3cc(Cl)ccc3N(C)C2=O)cc1", |
| "Cc1ccccc1-c1nn(-c2ccc(N)cc2)cc1CNCCN1CCN(C)CC1", |
| "Cc1ccccc1Cn1cc(CC(O)(Cn2cncn2)c2ccc(F)cc2F)nn1", |
| "Cc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1", |
| "Cc1cn(C2CC(n3cc(C(C)(C)C)nn3)C(CO)O2)c(=O)[nH]c1=O", |
| "Cc1cnc(C(C)(CO)NC(=O)c2c(C)nc3c(OCc4c(F)cccc4F)cccn23)s1", |
| "Cc1nc(C#Cc2cnc(SC(C)(C)C)nc2)cs1", |
| "Cc1nc(N2CCCCCC2)c2c(n1)[nH]c1ccc(O)cc12", |
| "Cc1ncc(-c2nc3cc(S(=O)(=O)N4CCCC4)ccc3n2C)cn1", |
| "Cc1ncc(C(=O)Nc2cccc(C(C)Nc3ncnc4c(C(N)=O)cccc34)c2)s1", |
| "Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1", |
| "Cc1noc(C)c1C(=O)N1CCC2CC(c3ccncn3)OC2C1", |
| "Cc1noc(C)c1S(=O)(=O)NC(=O)C1(C)CCN1C(=O)c1ccccc1CCc1ccccc1", |
| "Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NCC(O)CO)cn1", |
| "Cc1sc(NC(=O)C=Cc2ccco2)c(C(=O)OC(C)C)c1C", |
| "Cc1sc2ncnc(NCCCO)c2c1C", |
| "Chloro Buchwald-Hartwig amination|Reaction with Pd coordinated with 3 or 4 ligands", |
| "Chloro Sonogashira coupling|Reaction with Pd2+", |
| "Chloro Sonogashira coupling|Reaction with PdX2 and 1,5-cyclooctadiene", |
| "Chloro Stille reaction|Reaction with Pd coordinated with 3 or 4 ligands", |
| "Chloro Stille reaction|Reaction with PdX2, PPh3, and water", |
| "Chloro Suzuki coupling|Reaction with PdX2, PPh3, and water", |
| "Cl.N#Cc1ccc2[nH]ncc2c1.NO", |
| "Clc1cccc(-c2ccc(N3CCOCC3)nc2)c1Cl", |
| "Clc1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1", |
| "Clc1nc(Cl)c2c(n1)oc1ccccc12.OB(O)c1ccc2cc(-c3ccccc3)ccc2c1", |
| "Cn1c(-c2ccnc(Oc3ccccc3)n2)c(-c2ccc(F)cc2)c(=O)n1C", |
| "Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)nc21", |
| "Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(O)nc21", |
| "Cn1c(=O)c(-c2ccccc2)nc2cncnc21", |
| "Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N3CCC(O)C3)nc21", |
| "Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(N3CCCC(O)C3)nc21", |
| "Cn1c(=O)c2c(ncn2C)n(C)c1=O", |
| "Cn1c(=O)n(CCOc2ccc(Cl)cc2Cl)c2ccccc21", |
| "Cn1c(SCC(=O)NCc2ccccc2)nc2ccccc21", |
| "Cn1c(SCC(=O)Nc2ccccc2)nc2ccccc2c1=O", |
| "Cn1ccc(Oc2ccc3cc(NC(=O)C4CC4)ncc3c2)n1", |
| "Cn1ccnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1", |
| "Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccccc3)ncc1CC2", |
| "Cn1nc(C(N)=O)c2c1-c1nc(NCc3ccccc3)ncc1CC2|Cn1nc(CN)c2c1-c1nc(NCc3ccccc3)ncc1CC2", |
| "Cn1ncc2cc(N)ccc21.O=C(NCCCn1ccc2cnc(Cl)nc21)C1CCC1", |
| "Ester hydrolysis|Deprotection with OH-", |
| "Ester hydrolysis|Deprotection with water", |
| "Ethyl esterification|Condensation using CDI", |
| "FC(F)(F)c1ccc(N2CCC(NC(c3ccc(Cl)cc3)c3cccnc3)CC2)nc1", |
| "FC(F)(F)c1ccc2c(c1)nc1n2CCOc2ccccc2-1", |
| "FC(F)(F)c1ccccc1-c1nccc(NCc2ccccc2)n1", |
| "Fc1ccc(-c2nc[nH]c2-c2ccncc2)cc1", |
| "Fc1ccccc1C1CCN(Cc2nc(CC3CC3)no2)C1", |
| "Fischer-Speier esterification|Condensation using BOP", |
| "Hydroxy to chloro|PCl5", |
| "Hydroxy to chloro|SOCl2 or POCl3", |
| "Iodo Buchwald-Hartwig amination|Reaction with Pd2+", |
| "Iodo Buchwald-Hartwig amination|Reaction with PdX2 and 1,5-cyclooctadiene", |
| "Iodo Miyaura boration|Reaction with Pd2+", |
| "Iodo Miyaura boration|Reaction with PdX2 and 1,5-cyclooctadiene", |
| "Iodo Sonogashira coupling|Reaction with Pd coordinated with 3 or 4 ligands", |
| "Iodo Stille reaction|Reaction with Pd coordinated with 2 ligands", |
| "Iodo Suzuki coupling|Reaction with PdX2 and 1,5-cyclooctadiene", |
| "Iodo Suzuki coupling|Reaction with element Pd and P-ligand", |
| "Methyl esterification|Condensation using CDI", |
| "Methyl esterification|Condensation without catalyst", |
| "N#CCCNCCCN1CCCCC1", |
| "N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccccc1F", |
| "N#Cc1cc2cnc(NCc3ccccc3)nc2n(C2CCCC2)c1=O", |
| "N#Cc1ccccc1N1CCN(CCCNC(=O)c2ccncc2)CC1", |
| "N#Cc1ncc(F)c(N(Cc2ccc(Cl)cc2)Cc2ccc3c(c2)OCO3)n1", |
| "N=C(N)c1ccc(-c2c[nH]cn2)cc1", |
| "NC(=NO)c1ccc(C=Cc2ccc(O)cc2)cc1", |
| "NC(=O)COc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1", |
| "NC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccs2)n1", |
| "NC(=O)c1cccc(O)c1", |
| "NC(=O)c1cccc2c(NCc3cccc(F)c3)ncnc12", |
| "NC(=O)c1cccc2c(NCc3cccc(Nc4ncccn4)c3)ncnc12", |
| "NC(=O)c1cccc2c(NCc3cccc(Nc4nccs4)c3)ncnc12", |
| "NC(=O)c1cccc2ncn(-c3ccccc3)c12", |
| "NC(=O)c1cncnc1Nc1cccc(C(F)(F)F)c1", |
| "NC1=NC(CF)(c2cc(Oc3ncccc3F)ccc2F)CC(C(F)(F)F)O1", |
| "NC1=NC(CF)(c2cc(Oc3ncccn3)ccc2F)CC(C(F)(F)F)O1", |
| "NC1=NC2(c3ccc(F)cc3F)COC(c3ccc(Cl)cc3)CC2CS1", |
| "NCC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.O=C(O)c1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1", |
| "NCCCCc1c[nH]c2ccc(F)cc12", |
| "NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1", |
| "NS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2ccccc2)OCO3)cc1", |
| "Nc1c(C(=O)c2cccc(C(O)CO)c2)cnn1-c1ccc(F)cc1", |
| "Nc1cc(F)cc(C(F)(F)F)c1.O=C1CCC(=O)N1Br", |
| "Nc1ccc(C(=O)C=Cc2ccc(-c3ccccc3)cc2)cc1", |
| "Nc1ccc(C=CC(=O)Nc2cccc(Cl)c2)cc1O", |
| "Nc1ccc(CN2CCC2)c(C(F)(F)F)c1.O=C=Nc1ccc(Oc2cc(Cl)ncn2)cc1", |
| "Nc1ccc(CNc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1", |
| "Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1", |
| "Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1|Nc1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1", |
| "Nc1ccccc1NC(=O)c1ccc(CNc2ncccn2)cc1", |
| "Nc1ccnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1", |
| "Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCCO)cc2F)cn1", |
| "Nc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N", |
| "Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12", |
| "Nc1nc(-c2ccccc2)nc2c1nc(O)n2Cc1ccccc1", |
| "Nc1nc(-c2ccccc2C(F)(F)F)cs1", |
| "Nc1nccc(-c2ccc3ccccc3c2)n1", |
| "Nc1nonc1-c1nc2ccccc2n1Cc1ccncc1", |
| "Negishi coupling|Reaction with Pd coordinated with 2 ligands", |
| "Negishi coupling|Reaction with Pd coordinated with 3 or 4 ligands", |
| "Nitration|Nitric anhydride", |
| "Nitration|Sulfuric acid", |
| "O=C(C=Cc1ccc(C(=O)c2ccc3ccccc3n2)cc1)NO", |
| "O=C(CC(O)C(F)(F)F)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1", |
| "O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(Oc2ccccc2)cc1", |
| "O=C(CCCCCCC(=O)Nc1ccccc1)NO", |
| "O=C(CCCCCCc1ccccc1)c1ncc(-c2cc([N+](=O)[O-])ccn2)o1", |
| "O=C(CCCc1ccc(CCCCc2ccccc2)cc1)NO", |
| "O=C(CCCc1ccccc1)Nc1ccc(O)cc1", |
| "O=C(CCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1)c1ccco1", |
| "O=C(CCc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1)NO", |
| "O=C(CN1CCCCC1)Nc1ccccc1Oc1ccccc1", |
| "O=C(CN1CCCCCC1)N1c2ccccc2Sc2ccccc21", |
| "O=C(CN1CCN(CCc2ccccc2)CC1)C(O)(c1ccccc1)C1CCC1", |
| "O=C(COC(=O)c1ccc(O)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1", |
| "O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCc1ccccc1", |
| "O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccco1", |
| "O=C(CSc1nnc(N2CCOCC2)s1)NCc1cccs1", |
| "O=C(CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1)NCC1CCCO1", |
| "O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2)CC1", |
| "O=C(Cl)Cc1ccc(C(F)(F)F)cc1.[Br][Mg][c]1ccccc1", |
| "O=C(NC(=Cc1ccc(Br)cc1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1", |
| "O=C(NC(=S)NCc1ccco1)c1ccc([N+](=O)[O-])cc1", |
| "O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1", |
| "O=C(NC(Cc1ccc(O)cc1)C(=O)NCC1CC(Br)=NO1)OCc1ccccc1", |
| "O=C(NC1CCCC1)C(c1cccnc1)N(C(=O)c1csnn1)C1CCCC1", |
| "O=C(NC1CCNCC1)c1ccc2ccccc2c1", |
| "O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1", |
| "O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2CCOCC2)cc1", |
| "O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1Cl", |
| "O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccco1", |
| "O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1O", |
| "O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1ccc(C(F)(F)F)cc1Cl", |
| "O=C(Nc1ccc2c(c1)OCO2)C1CC(c2c(F)cccc2Cl)=NO1", |
| "O=C(Nc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1)C1CC1", |
| "O=C(Nc1ccccc1)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1", |
| "O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1", |
| "O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)O)c1cnccn1", |
| "O=C(Nc1cnccn1)c1ccccc1NCc1ccncc1", |
| "O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1", |
| "O=C(Nc1ncc(CCNc2ncnc3ccsc23)s1)NC1CCCCC1", |
| "O=C(O)C(O)Cc1c[nH]c2ccc(O)cc12", |
| "O=C(O)C=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12", |
| "O=C(O)CCCC1C2CCCN3CCCC(CN1CCO)C23", |
| "O=C(O)CCSc1ccc2ccccc2n1", |
| "O=C(O)CN1C(=O)SC(=Cc2cccc([N+](=O)[O-])c2)C1=O", |
| "O=C(O)CSc1nonc1-c1ccccc1", |
| "O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCCC4COC4)cc3)cc12", |
| "O=C(O)c1cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2oc1=O", |
| "O=C(O)c1ccc2c(c1)nc(-c1nccs1)n2C1CCCCC1", |
| "O=C(O)c1ccccc1Nc1ccnc(N2CCCCC2)n1", |
| "O=C(O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)c(F)c2c1=O.OCc1ccccc1", |
| "O=C(O)c1cn(COCCO)c2ccc([N+](=O)[O-])cc2c1=O", |
| "O=C(O)c1cnc2c(ccc3ccccc32)c1", |
| "O=C(OCc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)C1CCCN1", |
| "O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccccc2F)CC1", |
| "O=C1CC(CN2CCN(Cc3ccccc3)CC2)Oc2ccccc21", |
| "O=C1CCC(N2C(=O)c3cccc(C#CCO)c3C2=O)C(=O)N1", |
| "O=C1NC(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1", |
| "O=C1NC(=O)C(=Cc2ccc(O)cc2)N1", |
| "O=C1NC(=O)C(=Cc2ccc(OCc3ccccc3)c(Br)c2)S1", |
| "O=C1NC(Cc2ccc(O)cc2)C(=O)NC1CO", |
| "O=C1SC(=Cc2ccc3cc(F)ccc3n2)C(=O)N1CCN1CCCCC1", |
| "O=CCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2nc(Cl)ccc21.[CH3][Mg][I]", |
| "O=CCCc1ccccn1.[CH3][Mg][Cl]", |
| "O=Cc1cc2cc(Cl)ccc2s1", |
| "O=S(=O)(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCCC2)cc1", |
| "O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1cccc(Cl)c1Cl", |
| "O=S(Br)Br.OCc1c(F)cncc1F", |
| "O=S(O)c1ccc(C2CC(O)(c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)cc3Cl)C2)cc1", |
| "O=[N+]([O-])c1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)o1", |
| "O=c1cc(-c2cccc(O)c2)oc2c1ccc1ccccc12", |
| "O=c1cc(-c2ccccc2)oc2cc(OCCN3CCOCC3)cc(O)c12", |
| "O=c1cc(-c2ccccc2Cl)oc2c1ccc1ccccc12", |
| "O=c1cc(-c2ccccc2Cl)oc2c1ccc1ccccc12|O=c1cc(-c2ccccc2Cl)oc2c1ccc1ccccc12", |
| "O=c1cc(Br)c2cccc([N+](=O)[O-])c2[nH]1", |
| "O=c1cc(C2CCCCC2)oc2c1ccc1ccccc12", |
| "O=c1cc(N2CCOCC2)oc2c(OCc3ccccc3)cccc12", |
| "O=c1cc(N2CCOCC2)oc2cc(OCc3ccc(Cl)cc3)ccc12", |
| "O=c1cnc2cnc(OCc3ccccc3)nc2n1Cc1ccc(F)cc1", |
| "OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccccc1", |
| "OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccccc1|OC(CN1C2CCC1CC(c1ccccc1)C2)c1ccccc1", |
| "OC(CN1CCN(Cc2cccs2)CC1)(Cn1cncn1)c1ccc(F)cc1F", |
| "OC(COc1ccc(-n2cncn2)cc1)CN1CCc2ccccc2C1", |
| "OC1CCC(Nc2cc(-c3cccc(NC4CCNCC4)n3)c(Cl)cn2)CC1", |
| "OC1CCC(Nc2nc(NCCc3ccccc3)ncc2-c2ccccn2)CC1", |
| "OC1CCCC(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1", |
| "OCCN(CCO)CCCN1c2ccccc2Oc2ccccc21", |
| "OCc1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1", |
| "OCc1ccnc(C(F)(F)F)c1", |
| "Oc1ccc(Nc2nc(-c3ccc(N4CCOCC4)cc3)cs2)cc1", |
| "Palladium Kumada coupling|Reaction with element Pd and P-ligand", |
| "Steglich esterification|Thionyl chloride", |
| "Sulfoxy Stille reaction|Reaction with Pd coordinated with 3 or 4 ligands", |
| "Sulfoxy Stille reaction|Reaction with PdX2 and 1,5-cyclooctadiene", |
| "Tosyloxy Suzuki coupling|Reaction with Pd coordinated with 3 or 4 ligands", |
| "Triflyloxy Buchwald-Hartwig amination|Reaction with Pd2+", |
| "Triflyloxy Miyaura boration|Reaction with PdX2 and 1,5-cyclooctadiene", |
| "Triflyloxy Sonogashira coupling|Reaction with Pd coordinated with 2 ligands", |
| "Triflyloxy Stille reaction|Reaction with Pd2+", |
| "Triflyloxy Suzuki coupling|Reaction with Pd coordinated with 3 or 4 ligands", |
| "Triflyloxy Suzuki coupling|Reaction with PdX2, PPh3, and water", |
| "Weinreb amide synthesis|Condensation using HATU/HBTU", |
| "c1cc(CSc2nnc(-c3ccc4[nH]cnc4c3)o2)ccn1", |
| "c1cc(Nc2ccon2)nc(Nc2ccc(N3CCOCC3)cc2)n1", |
| "c1ccc(-c2c[nH]c(-c3ccccc3)n2)cc1", |
| "c1ccc(-c2cc(NCc3cccnc3)n3nccc3n2)cc1", |
| "c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1", |
| "c1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1", |
| "c1ccc(COc2ccc(OCCn3cnc4ccccc43)cc2)cc1", |
| "c1ccc(CSc2nnc(-c3ccccc3)o2)cc1", |
| "c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1", |
| "c1ccc(Cn2cc(CSc3nnc(C4CCCC4)o3)nn2)cc1", |
| "c1ccc(Nc2ccc(Oc3nccnc3C3CCOC3)cc2)nc1", |
| "c1ccc(Nc2ncnc3ccc(-c4cncs4)cc23)cc1", |
| "c1ccc2c(N3CCCCCC3)nc(-c3ccncc3)nc2c1", |
| "c1cnc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cn1", |
| "c1nc(N2CCCCC2)c2cc[nH]c2n1" |
| ] |
| } |
|
|
