id int64 0 144k | contents stringlengths 124 842 |
|---|---|
600 | Reaction information for COc1cccc(CNc2nc(Nc3cccc(CCO)c3)ncc2Cl)c1
{'reactant': 'COc1cccc(CNc2nc(Cl)ncc2Cl)c1.Nc1cccc(CCO)c1', 'reagent': 'C1COCCO1.Cc1ccc(S(=O)(=O)O)cc1.O.O=C([O-])O.[Na+]', 'product': 'COc1cccc(CNc2nc(Nc3cccc(CCO)c3)ncc2Cl)c1', 'yield': '72.8%'} |
601 | Reaction information for COC(=O)CCCCCCCCO
{'reactant': 'COC(=O)CCCCCCCC(=O)O', 'reagent': 'B.C1CCOC1.CSC.O=C([O-])[O-].[K+].[K+]', 'product': 'COC(=O)CCCCCCCCO', 'yield': '54.0%'} |
602 | Reaction information for CCOc1cc2oc(=O)ccc2cc1OCCCN1CCN(c2ccccc2OC)CC1
{'reactant': 'CCOc1cc2oc(=O)ccc2cc1OCCCCl.COc1ccccc1N1CCNCC1', 'reagent': 'CC(C)O.CCO.Cl.O=C([O-])/C=C/C(=O)[O-]', 'product': 'CCOc1cc2oc(=O)ccc2cc1OCCCN1CCN(c2ccccc2OC)CC1', 'yield': '49.0%'} |
603 | Reaction information for Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nnc2cc1N1CCCC1
{'reactant': 'Cn1ncnc1CO.Fc1ccc(-c2nnc3cc(N4CCCC4)c(Cl)nn23)c(F)c1', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nnc2cc1N1CCCC1', 'yield': '30.0%'} |
604 | Reaction information for O=C(Nc1ccc(SC(F)(F)F)cc1)NC(c1ccc(C(=O)O)cc1)c1ccc(C2CCCCC2)cc1
{'reactant': 'COC(=O)c1ccc(C(NC(=O)Nc2ccc(SC(F)(F)F)cc2)c2ccc(C3CCCCC3)cc2)cc1', 'reagent': 'CCO.[Na+].[OH-]', 'product': 'O=C(Nc1ccc(SC(F)(F)F)cc1)NC(c1ccc(C(=O)O)cc1)c1ccc(C2CCCCC2)cc1', 'yield': '65.6%'} |
605 | Reaction information for Cc1cc(C(=O)O)ccc1-c1ccccc1C(F)(F)F
{'reactant': 'COC(=O)c1ccc(-c2ccccc2C(F)(F)F)c(C)c1', 'reagent': 'C1CCOC1.Cl.[Na+].[OH-]', 'product': 'Cc1cc(C(=O)O)ccc1-c1ccccc1C(F)(F)F', 'yield': '90.6%'} |
606 | Reaction information for COc1ccc(Br)cn1
{'reactant': 'BrBr.COc1ccccn1', 'reagent': 'CC(=O)O.CCOCC.[Na+].[OH-]', 'product': 'COc1ccc(Br)cn1', 'yield': '65.9%'} |
607 | Reaction information for CCOc1cc(CN2CCC(Nc3ncc(C#N)c(N)n3)CC2)ccc1OC
{'reactant': 'CCOc1cc(CN2CCC(N)CC2)ccc1OC.N#Cc1cnc(Cl)nc1N', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'CCOc1cc(CN2CCC(Nc3ncc(C#N)c(N)n3)CC2)ccc1OC', 'yield': '34.0%'} |
608 | Reaction information for CC(C)(C)OC(=O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
{'reactant': 'CC(C)(C)OC(=O)CCO.ClC(c1ccccc1)(c1ccccc1)c1ccccc1', 'reagent': 'ClCCl.c1ccncc1', 'product': 'CC(C)(C)OC(=O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1', 'yield': '65.8%'} |
609 | Reaction information for C[C@H](NC(=O)c1cc(C#N)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1
{'reactant': 'COC(=O)c1ccc([C@H](C)NC(=O)c2cc(C#N)ccc2Oc2cccc(F)c2)cc1', 'reagent': 'BrB(Br)Br.ClCCl.O', 'product': 'C[C@H](NC(=O)c1cc(C#N)ccc1Oc1cccc(F)c1)c1ccc(C(=O)O)cc1', 'yield': '32.8%'} |
610 | Reaction information for CC(=O)N1CCC[C@@H]1COc1cccc([N+](=O)[O-])c1C#N
{'reactant': 'CC(=O)Cl.N#Cc1c(OC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-]', 'reagent': '[Cl-]', 'product': 'CC(=O)N1CCC[C@@H]1COc1cccc([N+](=O)[O-])c1C#N', 'yield': '100.0%'} |
611 | Reaction information for Cn1ncc(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1
{'reactant': 'CC(C)(C)OC(=O)N[C@@H]1CCNC1.Cn1ncc(NC(=O)Oc2ccccc2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1', 'reagent': 'CCN(C(C)C)C(C)C.ClCCl', 'product': 'Cn1ncc(NC(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1NC(c1ccccc1)(c1ccccc1)c1cc... |
612 | Reaction information for O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
{'reactant': 'NCc1ccccc1.O=C(O)c1cccc(S(=O)(=O)N2CCCCC2)c1', 'reagent': 'CCN(CC)CC.CN1CC[NH+](C)C1Cl.ClC(Cl)Cl.ClCCl.[Cl-]', 'product': 'O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1', 'yield': '65.0%'} |
613 | Reaction information for CCCCN(CCCC)c1cccc(OC)c1
{'reactant': 'CCCCN(CCCC)c1cccc(O)c1.CI', 'reagent': 'CCOC(C)=O.CN1CCCC1=O.O.O=C([O-])[O-].[K+].[K+]', 'product': 'CCCCN(CCCC)c1cccc(OC)c1', 'yield': '48.7%'} |
614 | Reaction information for OCc1ccc(Cl)nc1Cl
{'reactant': 'O=C(O)c1ccc(Cl)nc1Cl', 'reagent': 'OCc1cc(F)c(Cl)nc1Cl', 'product': 'OCc1ccc(Cl)nc1Cl', 'yield': '88.8%'} |
615 | Reaction information for c1ccc(C(CCN2CCC(n3nnc4ccccc43)CC2)c2ccccc2)cc1
{'reactant': 'BrCCC(c1ccccc1)c1ccccc1.c1ccc2c(c1)nnn2C1CCNCC1', 'reagent': 'CN(C)C=O.Cl.O=C([O-])[O-].[K+].[K+]', 'product': 'c1ccc(C(CCN2CCC(n3nnc4ccccc43)CC2)c2ccccc2)cc1', 'yield': '41.0%'} |
616 | Reaction information for CC(C)(C)OC(=O)NCC1CCN(c2ccc(C(F)(F)F)cc2)CC1
{'reactant': 'CC(C)(C)OC(=O)NCC1CCNCC1.FC(F)(F)c1ccc(Br)cc1', 'reagent': 'C1COCCO1.CC(=O)[O-].CC(=O)[O-].O.O=C([O-])[O-].[Cs+].[Cs+].[Pd+2].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1', 'product': 'CC(C)(C)OC(=O)NCC1CCN(c2... |
617 | Reaction information for CCC(C)Oc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1
{'reactant': 'CCC(C)Oc1ccc(O)c(Cl)c1.ClCc1ccc(Cl)cc1', 'reagent': 'CN(C)C=O.O=C([O-])[O-].[K+].[K+]', 'product': 'CCC(C)Oc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1', 'yield': '78.9%'} |
618 | Reaction information for CN(C)Cc1cccc([N+](=O)[O-])c1
{'reactant': 'CNC.O=[N+]([O-])c1cccc(CBr)c1', 'reagent': 'CCN(CC)CC.CN(C)C=O.Cl', 'product': 'CN(C)Cc1cccc([N+](=O)[O-])c1', 'yield': '96.0%'} |
619 | Reaction information for CC(C)C(C(=O)NN)c1ccccc1
{'reactant': 'COC(=O)C(c1ccccc1)C(C)C.NN', 'reagent': 'O', 'product': 'CC(C)C(C(=O)NN)c1ccccc1', 'yield': '47.0%'} |
620 | Reaction information for COC(=O)/C(=C\c1ccc(CBr)cc1)c1ccccc1
{'reactant': 'COC(=O)/C(=C\\c1ccc(C)cc1)c1ccccc1.O=C1CCC(=O)N1Br', 'reagent': 'CC(C)(C#N)N=NC(C)(C)C#N.CCOCC.ClC(Cl)(Cl)Cl', 'product': 'COC(=O)/C(=C\\c1ccc(CBr)cc1)c1ccccc1', 'yield': '70.3%'} |
621 | Reaction information for Nc1ncnc2cccc(Oc3ccc(O)cc3)c12
{'reactant': 'Nc1ncnc2cccc(Oc3ccc(OCc4ccccc4)cc3)c12', 'reagent': 'CC(=O)N(C)C.[Pd]', 'product': 'Nc1ncnc2cccc(Oc3ccc(O)cc3)c12', 'yield': '27.1%'} |
622 | Reaction information for Cc1cc(OCC2(O)CCSCC2)cc(C)c1-c1cccc(CO)c1
{'reactant': 'Cc1cc(OCC2(O)CCSCC2)cc(C)c1-c1cccc(C=O)c1', 'reagent': 'C1CCOC1.CO.[BH4-].[Na+]', 'product': 'Cc1cc(OCC2(O)CCSCC2)cc(C)c1-c1cccc(CO)c1', 'yield': '87.9%'} |
623 | Reaction information for NCc1cccc(Oc2ccccc2)c1
{'reactant': 'N#Cc1cccc(Oc2ccccc2)c1', 'reagent': 'CO.N.[H][H].[Ni]', 'product': 'NCc1cccc(Oc2ccccc2)c1', 'yield': '98.6%'} |
624 | Reaction information for O=C(O)c1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)cc1
{'reactant': 'FC(F)(F)c1cccc2c(Cl)ccnc12.Nc1ccc(C(=O)O)cc1', 'reagent': 'Cl.O', 'product': 'O=C(O)c1ccc(Nc2ccnc3c(C(F)(F)F)cccc23)cc1', 'yield': '96.6%'} |
625 | Reaction information for COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1=O
{'reactant': 'BrCc1ccccc1.COc1ccc2[nH]c3c(c2c1)C(=O)CCC3', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCCC1=O', 'yield': '81.0%'} |
626 | Reaction information for Cc1ccc(N2CCC(N3C(=O)C(C)(C)c4cccnc43)CC2)nc1
{'reactant': 'CC1(C)C(=O)N(C2CCNCC2)c2ncccc21.Cc1ccc(Br)nc1', 'reagent': 'CC(=O)[O-].CCOC(C)=O.CS(C)=O.Cl.Cl.[Cs+].[Cu].[NH4+].[OH-]', 'product': 'Cc1ccc(N2CCC(N3C(=O)C(C)(C)c4cccnc43)CC2)nc1', 'yield': '24.6%'} |
627 | Reaction information for COc1cc(NC(C)=O)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1
{'reactant': 'CC(=O)Cl.COc1cc(N)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1', 'reagent': 'C1CCOC1.CC(C)NC(C)C.CN(C)c1ccncc1', 'product': 'COc1cc(NC(C)=O)ccc1-c1nnc(-c2c(-c3ccccc3)noc2C)o1', 'yield': '72.4%'} |
628 | Reaction information for Cc1ccc2c(c1)c1c(OCCN)cccc1n2Cc1ccccc1
{'reactant': 'Cc1ccc2c(c1)c1c(OCC#N)cccc1n2Cc1ccccc1', 'reagent': 'B.C1CCOC1.CSC', 'product': 'Cc1ccc2c(c1)c1c(OCCN)cccc1n2Cc1ccccc1', 'yield': '65.9%'} |
629 | Reaction information for Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(N5CCN(CCO)CC5)nc4)cnc32)cc1
{'reactant': 'Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(N5CCNCC5)nc4)cnc32)cc1.OCCBr', 'reagent': 'CN(C)C=O.CN1CCN(c2ccc(-c3cnc4[nH]cc(-c5cnn(Cc6cccc(F)c6)c5)c4c3)cn2)CC1.O=C([O-])[O-].[K+].[K+]', ... |
630 | Reaction information for CC(C)(C)OC(=O)NC1Cc2ccc(C(=O)NCc3ccccc3)cc2C1
{'reactant': 'CC(C)(C)OC(=O)NC1Cc2ccc(C(=O)O)cc2C1.NCc1ccccc1', 'reagent': 'CCN(CC)CC.CN(C)c1ccccn1.ClCCl', 'product': 'CC(C)(C)OC(=O)NC1Cc2ccc(C(=O)NCc3ccccc3)cc2C1', 'yield': '86.8%'} |
631 | Reaction information for Cn1c(-c2cc(N3CCN(C(=O)[C@@H]4CCCN4)CC3)ccc2F)nc2ccccc21
{'reactant': 'Cn1c(-c2cc(N3CCN(C(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)CC3)ccc2F)nc2ccccc21', 'reagent': 'CCOCC.ClCCl', 'product': 'Cn1c(-c2cc(N3CCN(C(=O)[C@@H]4CCCN4)CC3)ccc2F)nc2ccccc21', 'yield': '98.2%'} |
632 | Reaction information for CC(C)C(=O)c1c(O)cc(O)cc1O
{'reactant': 'CC(C)C(=O)Cl.Oc1cc(O)cc(O)c1', 'reagent': 'Cl.O=[N+]([O-])c1ccccc1.S=C=S.[Al+3].[Al].[Cl-].[Cl-].[Cl-]', 'product': 'CC(C)C(=O)c1c(O)cc(O)cc1O', 'yield': '87.2%'} |
633 | Reaction information for COC(=O)CCc1c(C)[nH]c(C(=O)NC2CCN(C(C)C)CC2)c1C
{'reactant': 'CC(C)N1CCC(N)CC1.COC(=O)CCc1c(C)[nH]c(C(=O)O)c1C', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.Cl.Cl.F[P-](F)(F)(F)(F)F', 'product': 'COC(=O)CCc1c(C)[nH]c(C(=O)NC2CCN(C(C)C)CC2)c1C', 'yield': '40.6%'} |
634 | Reaction information for O=C(O)CCCCCCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
{'reactant': 'ClC(c1ccccc1)(c1ccccc1)c1ccccc1.O=C(O)CCCCCCCCCCCCCCCO', 'reagent': 'CCN(CC)CC.CN(C)C=O.CN(C)c1ccncc1', 'product': 'O=C(O)CCCCCCCCCCCCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1', 'yield': '15.9%'} |
635 | Reaction information for C=CCOc1ccc(CC(=O)NC(CCl)C(=O)O)cc1
{'reactant': 'C=CCOc1ccc(CC(=O)NC(CCl)C(=O)OC)cc1', 'reagent': 'CC(C)=O.Cl.[Na+].[OH-]', 'product': 'C=CCOc1ccc(CC(=O)NC(CCl)C(=O)O)cc1', 'yield': '94.2%'} |
636 | Reaction information for C[C@@H](O)[C@@H]1CCC(c2cc(F)c(F)c(F)c2)N1
{'reactant': 'C[C@@H](O)[C@@H]1CCC(c2cc(F)c(F)c(F)c2)N1C(=O)OC(C)(C)C', 'reagent': 'CCOC(C)=O.CCOC(C)=O.Cl', 'product': 'C[C@@H](O)[C@@H]1CCC(c2cc(F)c(F)c(F)c2)N1', 'yield': '98.7%'} |
637 | Reaction information for Cc1c(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc2n1C
{'reactant': 'Cc1c(C(=O)O)c2ccccc2n1C.N[C@@H]1CN2CCC1CC2', 'reagent': 'CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl', 'product': 'Cc1c(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc2n1C', 'yield': '44.4%'} |
638 | Reaction information for COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)C4)cc3)c2cc1OC
{'reactant': 'COc1cc2nccc(Oc3ccc(N)cc3)c2cc1OC.Cc1ccccc1CN1CCC(N)C1.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl', 'reagent': 'CCN(CC)CC.ClC(Cl)Cl.O=C([O-])O.[Na+]', 'product': 'COc1cc2nccc(Oc3ccc(NC(=O)NC4CCN(Cc5ccccc5C)C4)cc3)c2cc1OC', 'yield': '58.7... |
639 | Reaction information for CC(C)(C)C(=O)Nc1ccc2oc3c(c2c1)CCCC3
{'reactant': 'CC(C)(C)C(=O)Cl.Nc1ccc2oc3c(c2c1)CCCC3', 'reagent': 'CCN(CC)CC', 'product': 'CC(C)(C)C(=O)Nc1ccc2oc3c(c2c1)CCCC3', 'yield': '64.1%'} |
640 | Reaction information for COC(=O)CN(C)C(=O)OC(C)(C)C
{'reactant': 'CI.CN(CC(=O)O)C(=O)OC(C)(C)C', 'reagent': 'CCCC=CCCCCCC.c1ccccc1', 'product': 'COC(=O)CN(C)C(=O)OC(C)(C)C', 'yield': '86.4%'} |
641 | Reaction information for CC1(C)CNCCN1c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1
{'reactant': 'CC(C)(C)OC(=O)N1CCN(c2cnc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)C(C)(C)C1', 'reagent': 'ClCCl.O=C(O)C(F)(F)F', 'product': 'CC1(C)CNCCN1c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1', 'yield': '19.0%'} |
642 | Reaction information for Cc1cc(Nc2nccc(C3CC3)n2)cc(-c2cncs2)c1
{'reactant': 'Cc1cc(N)cc(-c2cncs2)c1.Clc1nccc(C2CC2)n1', 'reagent': 'C1COCCO1.CC(=O)[O-].CC(=O)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[Pd+2]', 'product': 'Cc1cc(Nc2nccc(C3CC3)n2)cc(-c2cncs2)c1', 'yi... |
643 | Reaction information for CC(C)CC=C1CCC(=O)CC1
{'reactant': 'CC(C)CC=C1CCC2(CC1)OCCO2', 'reagent': 'C1CCOC1.Cl.ClC(Cl)Cl.O', 'product': 'CC(C)CC=C1CCC(=O)CC1', 'yield': '83.5%'} |
644 | Reaction information for CN(c1cc(OCC(=O)O)cc2cc(C3=NCC(CN4CCSCC4)S3)[nH]c12)S(=O)(=O)c1ccccn1
{'reactant': 'CCOC(=O)COc1cc(N(C)S(=O)(=O)c2ccccn2)c2[nH]c(C3=NCC(CN4CCSCC4)S3)cc2c1', 'reagent': 'C1CCOC1.CCO.[Na+].[OH-]', 'product': 'CN(c1cc(OCC(=O)O)cc2cc(C3=NCC(CN4CCSCC4)S3)[nH]c12)S(=O)(=O)c1ccccn1', 'yield': '52.6%'} |
645 | Reaction information for COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4c(Cl)cccc4Cl)cc3)cc2C1=O
{'reactant': 'COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(N)cc3)cc2C1=O.O=C(Cl)c1c(Cl)cccc1Cl', 'reagent': 'COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4ccccc4)cc3)cc2C1=O', 'product': 'COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)c4c(Cl)cccc... |
646 | Reaction information for COC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1OCCO
{'reactant': 'COC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1OCCO[Si](C)(C)C(C)(C)C', 'reagent': 'C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]', 'product': 'COC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1OCCO', 'yield': '80.4%'} |
647 | Reaction information for CC(C)(C)OC(=O)N[C@@H]1C(=O)N(OCc2ccccc2)[C@@H]1CO
{'reactant': 'CC(C)(C)OC(=O)N[C@@H]1C(=O)N(OCc2ccccc2)[C@@H]1CO[Si](C)(C)C(C)(C)C', 'reagent': 'C1CCOC1.F.O=P(O)(O)O.c1ccncc1.c1ccncc1', 'product': 'CC(C)(C)OC(=O)N[C@@H]1C(=O)N(OCc2ccccc2)[C@@H]1CO', 'yield': '98.7%'} |
648 | Reaction information for CCOC(=O)NC1CCc2ccc(OCCNC(=O)CC)cc2C1Cc1ccc(Cl)c(Cl)c1
{'reactant': 'CCC(=O)Cl.CCOC(=O)NC1CCc2ccc(OCCN)cc2C1Cc1ccc(Cl)c(Cl)c1', 'reagent': 'CCOC(C)=O.Cl.Cl.ClCCl', 'product': 'CCOC(=O)NC1CCc2ccc(OCCNC(=O)CC)cc2C1Cc1ccc(Cl)c(Cl)c1', 'yield': '86.9%'} |
649 | Reaction information for COc1cc(C(=O)OCc2ccccc2)ccc1Br
{'reactant': 'BrCc1ccccc1.COc1cc(C(=O)O)ccc1Br', 'reagent': 'CN(C)C=O.O=C([O-])[O-].[K+].[K+]', 'product': 'COc1cc(C(=O)OCc2ccccc2)ccc1Br', 'yield': '91.0%'} |
650 | Reaction information for O=C(O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1
{'reactant': 'COC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1', 'reagent': 'C1CCOC1.CO.ClCCl.[Na+].[OH-]', 'product': 'O=C(O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1', 'yield': '85.9%'} |
651 | Reaction information for CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)CN5CCOCC5)sc4n3)c(Cl)cc2F)c1
{'reactant': 'C1COCCN1.CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)CCl)sc4n3)c(Cl)cc2F)c1', 'reagent': 'C1CCOC1.CCN(CC)CC.CCOC(C)=O', 'product': 'CC(C)(C#N)c1cccc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)CN5CCOCC5)sc4n3)c(Cl)cc2F)c1', '... |
652 | Reaction information for CCc1ccc(C(=O)Cc2ccc(Br)cc2)cc1
{'reactant': 'CCc1ccccc1.O=C(Cl)Cc1ccc(Br)cc1', 'reagent': '[Al+3].[Cl-].[Cl-].[Cl-]', 'product': 'CCc1ccc(C(=O)Cc2ccc(Br)cc2)cc1', 'yield': '68.0%'} |
653 | Reaction information for CCCC(CC(=O)O)n1ccc2cc(CCCc3ccc4c(n3)NCCC4)ccc21
{'reactant': 'CCCC(CC(=O)OCC)n1ccc2cc(CCCc3ccc4c(n3)NCCC4)ccc21', 'reagent': 'C1CCOC1.Cl.O.[Na+].[OH-]', 'product': 'CCCC(CC(=O)O)n1ccc2cc(CCCc3ccc4c(n3)NCCC4)ccc21', 'yield': '65.0%'} |
654 | Reaction information for CCN(CC)C(=O)Nc1c[nH]nc1-c1nc2cc(F)c(NCCN(C)C)cc2[nH]1
{'reactant': 'CCN(CC)C(=O)Nc1cn(C2CCCCO2)nc1-c1nc2cc(F)c(NCCN(C)C)cc2[nH]1', 'reagent': 'ClCCl.O=C(O)C(F)(F)F', 'product': 'CCN(CC)C(=O)Nc1c[nH]nc1-c1nc2cc(F)c(NCCN(C)C)cc2[nH]1', 'yield': '67.2%'} |
655 | Reaction information for NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(Nc4cccnc4)s3)CSC12
{'reactant': 'CC(C)(C)OC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(Nc4cccnc4)s3)CSC12', 'reagent': 'CC#N.CS(=O)(=O)O.O=C([O-])O.[Na+]', 'product': 'NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(c3cnc(Nc4cccnc4)s3)CSC12', 'yiel... |
656 | Reaction information for Cc1cnc2cccc(O)c2c1
{'reactant': 'COc1cccc2ncc(C)cc12', 'reagent': 'Cl.c1ccncc1', 'product': 'Cc1cnc2cccc(O)c2c1', 'yield': '60.4%'} |
657 | Reaction information for O=[N+]([O-])c1ccc(F)c(F)c1OCCBr
{'reactant': 'BrCCBr.O=[N+]([O-])c1ccc(F)c(F)c1O', 'reagent': 'CN(C)C=O.O=C([O-])[O-].[K+].[K+]', 'product': 'O=[N+]([O-])c1ccc(F)c(F)c1OCCBr', 'yield': '60.5%'} |
658 | Reaction information for O=[N+]([O-])c1cc(F)c(N2CCNCC2)c(F)c1
{'reactant': 'C1CNCCN1.O=[N+]([O-])c1cc(F)c(F)c(F)c1', 'reagent': 'CC#N', 'product': 'O=[N+]([O-])c1cc(F)c(N2CCNCC2)c(F)c1', 'yield': '94.2%'} |
659 | Reaction information for Cc1c(O[C@@H]2CCC[C@H](NCc3ccccc3Cl)C2)ccc2[nH]ncc12
{'reactant': 'Cc1c(O[C@@H]2CCC[C@H](N)C2)ccc2[nH]ncc12.O=Cc1ccccc1Cl', 'reagent': 'CC(=O)O.CO.O=C([O-])O.[BH3-]C#N.[Na+].[Na+]', 'product': 'Cc1c(O[C@@H]2CCC[C@H](NCc3ccccc3Cl)C2)ccc2[nH]ncc12', 'yield': '66.2%'} |
660 | Reaction information for O=C(NCCBr)c1ccccn1
{'reactant': 'NCCBr.O=C(O)c1ccccn1', 'reagent': 'Br.CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C.ClCCl.F[P-](F)(F)(F)(F)F.O', 'product': 'O=C(NCCBr)c1ccccn1', 'yield': '52.5%'} |
661 | Reaction information for CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)NCCCN4CCCC4)C3)c2)c1
{'reactant': 'CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)O)C3)c2)c1.NCCCN1CCCC1', 'reagent': 'CCCP(=O)=O.CCN(C(C)C)C(C)C.CN(C)c1ccncc1.ClCCCl', 'product': 'CC(C)c1cccc(NC(=O)c2cccc(N3CCc4c(cncc4C(=O)NCCCN4CCCC4)C3)c2)c1', 'yield': ... |
662 | Reaction information for CCOC(=O)CC1CCN(c2ccccc2[N+](=O)[O-])CC1
{'reactant': 'CCOC(=O)CC1CCNCC1.O=[N+]([O-])c1ccccc1F', 'reagent': 'CN(C)C=O.O.O=C([O-])[O-].[K+].[K+]', 'product': 'CCOC(=O)CC1CCN(c2ccccc2[N+](=O)[O-])CC1', 'yield': '89.1%'} |
663 | Reaction information for CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2cc(F)ccc21
{'reactant': 'CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)OC)c3C)c(F)c2)cc2cc(F)ccc21', 'reagent': 'C1COCCO1.[Na+].[OH-]', 'product': 'CCn1c(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)c(F)c2)cc2cc(F)ccc21', 'yield': '89.0%'} |
664 | Reaction information for COc1ccc2c(CC(=O)NCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)coc2c1
{'reactant': 'COc1ccc2c(CC(=O)O)coc2c1.NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O', 'reagent': 'C1CCC2=NCCCN2CC1.CC#N.CCN=C=NCCCN(C)C.Cl.Cl.On1nnc2ccccc21', 'product': 'COc1ccc2c(CC(=O)NCc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)coc2c1', 'yield'... |
665 | Reaction information for Cc1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)cnc32)cc1
{'reactant': 'CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O)C1.Cc1ccc(S(=O)(=O)n2ccc3nc(NN)cnc32)cc1', 'reagent': 'CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F', 'product': 'Cc1ccc(S(=O)(=O)n2ccc3nc(NNC(=O)C[C@@... |
666 | Reaction information for CCCCC1CCN(CCCN2C(=O)COc3cc([N+](=O)[O-])c(Cl)cc32)CC1
{'reactant': 'CCCCC1CCNCC1.O=C1COc2cc([N+](=O)[O-])c(Cl)cc2N1CCCCl', 'reagent': 'CCCCCCC.CCOC(C)=O.O=C([O-])[O-].[I-].[K+].[K+].[Na+]', 'product': 'CCCCC1CCN(CCCN2C(=O)COc3cc([N+](=O)[O-])c(Cl)cc32)CC1', 'yield': '42.0%'} |
667 | Reaction information for Cc1ccc(OCC2CCCC2)cc1Cl
{'reactant': 'CS(=O)(=O)OCC1CCCC1.Cc1ccc(O)cc1Cl', 'reagent': 'CN(C)C=O.O.O=C([O-])[O-].[K+].[K+]', 'product': 'Cc1ccc(OCC2CCCC2)cc1Cl', 'yield': '92.6%'} |
668 | Reaction information for CCc1ncnc(NCc2cnc3[nH]c(C(F)(F)F)cc3c2)c1C
{'reactant': 'CCc1ncnc(Cl)c1C.NCc1cnc2[nH]c(C(F)(F)F)cc2c1', 'reagent': 'CCN(C(C)C)C(C)C.CCOC(C)=O.CN1CCCC1=O', 'product': 'CCc1ncnc(NCc2cnc3[nH]c(C(F)(F)F)cc3c2)c1C', 'yield': '29.8%'} |
669 | Reaction information for Cc1ccc(C(=O)O)cc1OCc1ccccc1
{'reactant': 'Cc1ccc(C(=O)O)cc1O.ClCc1ccccc1', 'reagent': 'O=C(Oc1ccc2c(OC(=O)c3ccc(O)cc3)c3ccccc3cc2c1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1', 'product': 'Cc1ccc(C(=O)O)cc1OCc1ccccc1', 'yield': '47.6%'} |
670 | Reaction information for O=[N+]([O-])c1ccc(OCCBr)cc1
{'reactant': 'BrCCBr.O=[N+]([O-])c1ccc(O)cc1', 'reagent': 'CCC(C)=O.O=C([O-])[O-].[K+].[K+]', 'product': 'O=[N+]([O-])c1ccc(OCCBr)cc1', 'yield': '70.4%'} |
671 | Reaction information for Nc1cc(Br)c2sncc2c1
{'reactant': 'O=[N+]([O-])c1cc(Br)c2sncc2c1', 'reagent': 'CCO.Cl.[Fe]', 'product': 'Nc1cc(Br)c2sncc2c1', 'yield': '56.0%'} |
672 | Reaction information for CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(F)c1)C(=O)N1CCCN(C2CCC2)CC1
{'reactant': 'C1CC(N2CCCNCC2)C1.CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(F)c1)C(=O)O', 'reagent': 'CN1CCOCC1.Cl.ClCCCl.ClCCl.On1nnc2ccccc21', 'product': 'CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(F)c1)C(=O)N1CCCN(C2CCC2)CC1', 'yield': '34.1%'} |
673 | Reaction information for CCCOc1nc(Oc2ccccc2F)nc2oc(-c3cc(C)c(O)c(C)c3)nc12
{'reactant': 'CCCOc1nc(Oc2ccccc2F)nc2oc(-c3cc(C)c(OC)c(C)c3)nc12', 'reagent': 'BrB(Br)Br.ClCCl.O=C([O-])O.[Na+]', 'product': 'CCCOc1nc(Oc2ccccc2F)nc2oc(-c3cc(C)c(O)c(C)c3)nc12', 'yield': '89.9%'} |
674 | Reaction information for C[C@H](Oc1ncc(Cl)cc1-c1ccc(Cl)cc1)C(F)(F)F
{'reactant': 'C[C@H](O)C(F)(F)F.Fc1ncc(Cl)cc1-c1ccc(Cl)cc1', 'reagent': 'CN(C)C=O', 'product': 'C[C@H](Oc1ncc(Cl)cc1-c1ccc(Cl)cc1)C(F)(F)F', 'yield': '76.8%'} |
675 | Reaction information for O=[N+]([O-])c1cc(CO)ccc1OCc1ccccc1
{'reactant': 'O=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1', 'reagent': 'CO.Cl.[BH4-].[Na+]', 'product': 'O=[N+]([O-])c1cc(CO)ccc1OCc1ccccc1', 'yield': '79.8%'} |
676 | Reaction information for CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(N)cc(C(F)(F)F)c2)CC1
{'reactant': 'CC(C)(C)OC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1', 'reagent': 'CO.[Pd]', 'product': 'CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(N)cc(C(F)(F)F)c2)CC1', 'yield': '88.9%'} |
677 | Reaction information for OCCCCCCCOc1ccccc1
{'reactant': 'OCCCCCCCBr.Oc1ccccc1', 'reagent': 'CC(C)=O.CCOC(C)=O.O=C([O-])[O-].[K+].[K+]', 'product': 'OCCCCCCCOc1ccccc1', 'yield': '100.0%'} |
678 | Reaction information for O=C(CCCCCCl)OCc1ccccc1
{'reactant': 'O=C(O)CCCCCCl.OCc1ccccc1', 'reagent': 'Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O', 'product': 'O=C(CCCCCCl)OCc1ccccc1', 'yield': '85.1%'} |
679 | Reaction information for NC(=O)c1ccc(Oc2ccc(CNCCC3CCCC3)cc2)nc1
{'reactant': 'NC(=O)c1ccc(Oc2ccc(C=O)cc2)nc1.NCCC1CCCC1', 'reagent': 'CO.[BH4-].[Na+]', 'product': 'NC(=O)c1ccc(Oc2ccc(CNCCC3CCCC3)cc2)nc1', 'yield': '52.2%'} |
680 | Reaction information for Cn1cc(C(N)=O)cc1-c1ccnc(Nc2cc(N3CCNCC3)ccc2OC(F)(F)F)n1
{'reactant': 'Cn1cc(C(N)=O)cc1-c1ccnc(Nc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc2OC(F)(F)F)n1', 'reagent': 'C1COCCO1.Cl', 'product': 'Cn1cc(C(N)=O)cc1-c1ccnc(Nc2cc(N3CCNCC3)ccc2OC(F)(F)F)n1', 'yield': '66.1%'} |
681 | Reaction information for COc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1CN1CCOCC1
{'reactant': 'COc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1C(=O)N1CCOCC1', 'reagent': 'C1CCOC1.CCOCC.FB(F)F.[BH4-].[Na+]', 'product': 'COc1cc(-c2cnc(N)c(-c3cn(C(C)C)nn3)c2)ccc1CN1CCOCC1', 'yield': '51.8%'} |
682 | Reaction information for O=C(O)Cn1ccc2cnc(Cl)nc21
{'reactant': 'CCOC(=O)Cn1ccc2cnc(Cl)nc21', 'reagent': 'CCO.O.[Na+].[OH-]', 'product': 'O=C(O)Cn1ccc2cnc(Cl)nc21', 'yield': '52.1%'} |
683 | Reaction information for C=CC(=O)Nc1cc(OC)c(C=O)cc1Cl
{'reactant': 'C=CC(=O)O.COc1cc(N)c(Cl)cc1C=O', 'reagent': 'CCN(CC)CC.CCOC(C)=O.Cl.O', 'product': 'C=CC(=O)Nc1cc(OC)c(C=O)cc1Cl', 'yield': '71.0%'} |
684 | Reaction information for O=C(O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21
{'reactant': 'COC(=O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21', 'reagent': 'C1CCOC1.O.[Li+].[OH-]', 'product': 'O=C(O)Cn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc21', 'yield': '68.2%'} |
685 | Reaction information for CC(C)(C)c1cc(C(=O)O)ccc1O
{'reactant': 'CC(=O)Oc1ccc(C(=O)O)cc1C(C)(C)C', 'reagent': 'CO.O.[Na+].[OH-]', 'product': 'CC(C)(C)c1cc(C(=O)O)ccc1O', 'yield': '98.8%'} |
686 | Reaction information for CC1(O)CCC(=O)CC1
{'reactant': 'CC1(O)CCC2(CC1)OCCO2', 'reagent': 'C1CCOC1.Cl.O=C([O-])[O-].[K+].[K+]', 'product': 'CC1(O)CCC(=O)CC1', 'yield': '88.4%'} |
687 | Reaction information for C[C@H]1CCCN1c1ccc(N)c(C(F)(F)F)n1
{'reactant': 'C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)n1', 'reagent': 'CO.[BH4-].[Na+]', 'product': 'C[C@H]1CCCN1c1ccc(N)c(C(F)(F)F)n1', 'yield': '95.0%'} |
688 | Reaction information for O=C(O)c1cccc(F)c1OC(F)F
{'reactant': 'COC(=O)c1cccc(F)c1OC(F)F', 'reagent': '[Na+].[OH-]', 'product': 'O=C(O)c1cccc(F)c1OC(F)F', 'yield': '74.0%'} |
689 | Reaction information for Cc1cnc(Nc2ncnc3ccc(Oc4ncc(OCCCOC5CCCCO5)cc4Cl)cc23)cn1
{'reactant': 'Cc1cnc(Nc2ncnc3ccc(O)cc23)cn1.Fc1ncc(OCCCOC2CCCCO2)cc1Cl', 'reagent': 'CC(=O)N(C)C.CC(C)(C)[O-].O.[K+]', 'product': 'Cc1cnc(Nc2ncnc3ccc(Oc4ncc(OCCCOC5CCCCO5)cc4Cl)cc23)cn1', 'yield': '70.9%'} |
690 | Reaction information for Cc1ccc(C(=O)CBr)cc1Br
{'reactant': 'BrBr.CC(=O)c1ccc(C)c(Br)c1', 'reagent': 'ClC(Cl)Cl', 'product': 'Cc1ccc(C(=O)CBr)cc1Br', 'yield': '95.0%'} |
691 | Reaction information for CCC(O)C1C(O)CCC12CCN(C(=O)OC(C)(C)C)CC2
{'reactant': 'CCC(O)C1C(O[Si](C)(C)C(C)(C)C)CCC12CCN(C(=O)OC(C)(C)C)CC2', 'reagent': 'C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CCOC(C)=O.Cl.[F-]', 'product': 'CCC(O)C1C(O)CCC12CCN(C(=O)OC(C)(C)C)CC2', 'yield': '99.0%'} |
692 | Reaction information for BrCc1ccnc(-n2cccn2)c1
{'reactant': 'BrP(Br)Br.OCc1ccnc(-n2cccn2)c1', 'reagent': 'C1CCOC1.CCOC(C)=O.CCOCC.O=C([O-])O.[Na+]', 'product': 'BrCc1ccnc(-n2cccn2)c1', 'yield': '69.6%'} |
693 | Reaction information for CC(C)(C)OC(=O)Nc1ccccc1O
{'reactant': 'CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.Nc1ccccc1O', 'reagent': 'C1CCOC1', 'product': 'CC(C)(C)OC(=O)Nc1ccccc1O', 'yield': '83.1%'} |
694 | Reaction information for CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(Br)cc4)c32)c1C
{'reactant': 'CCN(CC)CCNC(=O)c1c(C)[nH]c(C=O)c1C.O=C1Cc2c(cccc2-c2ccc(Br)cc2)N1', 'reagent': 'C1CCNCC1.CCO', 'product': 'CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3cccc(-c4ccc(Br)cc4)c32)c1C', 'yield': '44.1%'} |
695 | Reaction information for CCCc1ccc(CO)cc1
{'reactant': 'CCCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1', 'reagent': 'C1CCOC1.CCCC[NH3+].O=S(=O)([O-])[O-].[F-].[Mg+2]', 'product': 'CCCc1ccc(CO)cc1', 'yield': '80.6%'} |
696 | Reaction information for NCCSc1cc(Cl)cc(Cl)c1
{'reactant': 'N#CCSc1cc(Cl)cc(Cl)c1', 'reagent': 'COCCOC.Cl.O.[Na+].[OH-]', 'product': 'NCCSc1cc(Cl)cc(Cl)c1', 'yield': '81.8%'} |
697 | Reaction information for O=C(NC1CCN(CCO)CC1)c1ccc(/C=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1Br
{'reactant': 'O=C(NC1CCNCC1)c1ccc(/C=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1Br.OCCCl', 'reagent': 'C1CCOC1.CCOC(C)=O', 'product': 'O=C(NC1CCN(CCO)CC1)c1ccc(/C=C/C(c2cc(Cl)c(Cl)c(Cl)c2)C(F)(F)F)cc1Br', 'yield': '34.0%'} |
698 | Reaction information for COc1cc(C(O)CN2CCC(N3Cc4ccccc4OC3=O)CC2)cc(OC)c1OC
{'reactant': 'COc1cc(C(=O)CN2CCC(N3Cc4ccccc4OC3=O)CC2)cc(OC)c1OC', 'reagent': 'CO.[BH4-].[Na+]', 'product': 'COc1cc(C(O)CN2CCC(N3Cc4ccccc4OC3=O)CC2)cc(OC)c1OC', 'yield': '62.6%'} |
699 | Reaction information for CC(C)(C)OC(=O)N1CCC(Nc2ncnc3cc(Cl)ccc23)CC1
{'reactant': 'CC(C)(C)OC(=O)N1CCC(N)CC1.Clc1ccc2c(Cl)ncnc2c1', 'reagent': 'CN(C)C=O.[H-].[Na+]', 'product': 'CC(C)(C)OC(=O)N1CCC(Nc2ncnc3cc(Cl)ccc23)CC1', 'yield': '79.0%'} |
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