id int64 0 144k | contents stringlengths 124 842 |
|---|---|
400 | Reaction information for COc1nccc(Cl)c1-c1cc2ccc(N)cc2[nH]1
{'reactant': 'COc1nccc(Cl)c1-c1cc2ccc(NC(=O)OC(C)(C)C)cc2[nH]1', 'reagent': 'ClCCl.O=C(O)C(F)(F)F', 'product': 'COc1nccc(Cl)c1-c1cc2ccc(N)cc2[nH]1', 'yield': '89.8%'} |
401 | Reaction information for CCCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1
{'reactant': 'CCCCN.COc1cc2ncnc(Oc3ccc(N)cc3)c2cc1OC.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl', 'reagent': 'CCN(CC)CC.CO.ClC(Cl)Cl', 'product': 'CCCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1', 'yield': '43.0%'} |
402 | Reaction information for CC(C)(C)OC(=O)N1CCC(c2ccc(CN)cc2)C(OCc2ccc3ccccc3c2)C1
{'reactant': 'CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)cc2)C(OCc2ccc3ccccc3c2)C1', 'reagent': 'C1CCOC1', 'product': 'CC(C)(C)OC(=O)N1CCC(c2ccc(CN)cc2)C(OCc2ccc3ccccc3c2)C1', 'yield': '79.0%'} |
403 | Reaction information for Cc1sc(-c2ccc(C(=O)O)cc2)cc1C1C(=O)C2CCC(C2)C1=O
{'reactant': 'COC(=O)c1ccc(-c2cc(C3C(=O)C4CCC(C4)C3=O)c(C)s2)cc1', 'reagent': 'CO.Cl.[Li+].[OH-]', 'product': 'Cc1sc(-c2ccc(C(=O)O)cc2)cc1C1C(=O)C2CCC(C2)C1=O', 'yield': '77.6%'} |
404 | Reaction information for O=CCCc1ccc(Cl)cc1
{'reactant': 'OCCCc1ccc(Cl)cc1', 'reagent': 'CCN(CC)CC.CS(C)=O.ClCCl.O.O=C(Cl)C(=O)Cl', 'product': 'O=CCCc1ccc(Cl)cc1', 'yield': '48.6%'} |
405 | Reaction information for C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
{'reactant': 'C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1', 'reagent': 'CN(C)C=O.ClCCCl.On1nnc2ccccc21', 'product': 'C[C@H](NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1', 'yield': '31.2%'} |
406 | Reaction information for N#Cc1cc(N)c(N)cc1-n1ccc(=O)cc1
{'reactant': 'N#Cc1cc([N+](=O)[O-])c(N)cc1-n1ccc(=O)cc1', 'reagent': 'CCO.Cl.O.[Fe]', 'product': 'N#Cc1cc(N)c(N)cc1-n1ccc(=O)cc1', 'yield': '63.3%'} |
407 | Reaction information for COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCCN1CCOCC1
{'reactant': 'COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1O.ClCCCN1CCOCC1', 'reagent': 'CN(C)C=O.O=C([O-])[O-].[K+].[K+]', 'product': 'COc1cc2c(=O)n(COC(=O)C(C)(C)C)cnc2cc1OCCCN1CCOCC1', 'yield': '65.2%'} |
408 | Reaction information for COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
{'reactant': 'COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C(=O)OC(C)(C)C)CC1', 'reagent': 'C=O.O=CO', 'product': 'COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1', 'yield': '88.1%'} |
409 | Reaction information for NC(=O)C1CN(Cc2ccccc2)CCC1O
{'reactant': 'O=C(O)C1CN(Cc2ccccc2)CCC1O.[NH4+]', 'reagent': 'CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O=C([O-])O.On1nnc2cccnc21', 'product': 'NC(=O)C1CN(Cc2ccccc2)CCC1O', 'yield': '69.5%'} |
410 | Reaction information for CCCCCCCCOc1ccc(C(=O)OC)c(O)c1
{'reactant': 'CCCCCCCCBr.COC(=O)c1ccc(O)cc1O', 'reagent': 'CCC(C)=O.O.O=C([O-])[O-].[K+].[K+]', 'product': 'CCCCCCCCOc1ccc(C(=O)OC)c(O)c1', 'yield': '73.5%'} |
411 | Reaction information for O=C(OCc1ccccc1)c1c(O)ccc2ccccc12
{'reactant': 'BrCc1ccccc1.O=C(O)c1c(O)ccc2ccccc12', 'reagent': 'CN(C)C=O.CO.O.O=C([O-])[O-].[Cl-].[Cs+].[Cs+].[Na+]', 'product': 'O=C(OCc1ccccc1)c1c(O)ccc2ccccc12', 'yield': '57.0%'} |
412 | Reaction information for CC(C)(C)NC(=O)c1ccc(Br)cn1
{'reactant': 'CC(C)(C)N.O=C(O)c1ccc(Br)cn1', 'reagent': 'C1COCCO1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F', 'product': 'CC(C)(C)NC(=O)c1ccc(Br)cn1', 'yield': '92.1%'} |
413 | Reaction information for CCN(CC)CCCNC(=O)Cn1ncc(-c2ccc(O)cc2)c1-c1ccccc1
{'reactant': 'CCN(CC)CCCNC(=O)Cn1ncc(-c2ccc(OC)cc2)c1-c1ccccc1', 'reagent': 'CCCS.CN(C)C=O.Cl.ClCCl.[Na]', 'product': 'CCN(CC)CCCNC(=O)Cn1ncc(-c2ccc(O)cc2)c1-c1ccccc1', 'yield': '99.0%'} |
414 | Reaction information for CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(-c4ccc(F)cc4)cc3)c(C(F)(F)F)nn2)CC1
{'reactant': 'CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(Br)cc3)c(C(F)(F)F)nn2)CC1.OB(O)c1ccc(F)cc1', 'reagent': 'C1COCCO1.CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(F)cc3)c(C(F)(F)F)nn2)CC1.ClCCl.O=P([O-])([O-])[O-].[K+].[K+].[K+]', 'product': 'CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccc(-c4ccc(F)cc4)cc3)c(C(F)(F)F)nn2)CC1', 'yield': '56.0%'} |
415 | Reaction information for CCCCCCCCCCCCCCCCCCOCC(COS(C)(=O)=O)OC
{'reactant': 'CCCCCCCCCCCCCCCCCCOCC(CO)OC.CS(=O)(=O)Cl', 'reagent': 'CCN(CC)CC.ClCCl', 'product': 'CCCCCCCCCCCCCCCCCCOCC(COS(C)(=O)=O)OC', 'yield': '100.0%'} |
416 | Reaction information for COC(=O)C1CCOc2cc(F)ccc21
{'reactant': 'CO.O=C(O)C1CCOc2cc(F)ccc21', 'reagent': 'C1CCOC1.CCOC(C)=O.O=C([O-])O.O=S(=O)(O)O.[Na+]', 'product': 'COC(=O)C1CCOc2cc(F)ccc21', 'yield': '98.7%'} |
417 | Reaction information for CCc1ccc2cccnc2c1N
{'reactant': 'CCc1ccc2cccnc2c1[N+](=O)[O-]', 'reagent': 'Cl.Cl[Sn]Cl', 'product': 'CCc1ccc2cccnc2c1N', 'yield': '99.8%'} |
418 | Reaction information for COc1c(N2CCCCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
{'reactant': 'C1CCNCC1.COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12', 'reagent': 'CC#N.COB(OC)OC.O', 'product': 'COc1c(N2CCCCC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12', 'yield': '79.9%'} |
419 | Reaction information for COC(=O)[C@@H]1[C@H](C=C2CCC2)C1(C)C
{'reactant': 'CC1(C)[C@H](C(=O)Cl)[C@@H]1C=C1CCC1.CO', 'reagent': 'O.c1ccccc1.c1ccncc1', 'product': 'COC(=O)[C@@H]1[C@H](C=C2CCC2)C1(C)C', 'yield': '78.4%'} |
420 | Reaction information for Cc1nc(NCCN2CCOCC2)c2nc(-c3ccccc3)cc-2[nH]1
{'reactant': 'Cc1nc(Cl)c2nc(-c3ccccc3)cc-2[nH]1.NCCN1CCOCC1', 'reagent': 'O.O=C([O-])[O-].[K+].[K+]', 'product': 'Cc1nc(NCCN2CCOCC2)c2nc(-c3ccccc3)cc-2[nH]1', 'yield': '43.2%'} |
421 | Reaction information for O=S(=O)(NC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)C1CC1
{'reactant': 'NC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21.O=S(=O)(Cl)C1CC1', 'reagent': 'CCN(C(C)C)C(C)C.CN(C)C=O', 'product': 'O=S(=O)(NC1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21)C1CC1', 'yield': '2.9%'} |
422 | Reaction information for COc1ccc(COc2cccc([N+](=O)[O-])c2N)cc1
{'reactant': 'COc1ccc(CCl)cc1.Nc1c(O)cccc1[N+](=O)[O-]', 'reagent': 'CN(C)C=O.O.O=C([O-])[O-].[K+].[K+]', 'product': 'COc1ccc(COc2cccc([N+](=O)[O-])c2N)cc1', 'yield': '0.1%'} |
423 | Reaction information for OCc1cnc(OCC(F)(F)F)c(Cl)c1
{'reactant': 'CCOC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1', 'reagent': 'CCOCC.CO.[BH4-].[Li+]', 'product': 'OCc1cnc(OCC(F)(F)F)c(Cl)c1', 'yield': '98.6%'} |
424 | Reaction information for O=C(Cc1ccccc1)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1
{'reactant': 'Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1.O=C(Cl)Cc1ccccc1', 'reagent': 'CCN(CC)CC.C[Si](C)(C)Cl.ClCCl', 'product': 'O=C(Cc1ccccc1)Nc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1', 'yield': '67.0%'} |
425 | Reaction information for CCN(CC)CCN1CCN(c2ccc(Nc3cc(NCc4cccc([N+](=O)[O-])c4)c(CC(N)=O)cn3)cc2)CC1
{'reactant': 'CCN(CC)CCCl.NC(=O)Cc1cnc(Nc2ccc(N3CCNCC3)cc2)cc1NCc1cccc([N+](=O)[O-])c1', 'reagent': 'CN(C)C=O.Cl.O.O=C([O-])[O-].[K+].[K+]', 'product': 'CCN(CC)CCN1CCN(c2ccc(Nc3cc(NCc4cccc([N+](=O)[O-])c4)c(CC(N)=O)cn3)cc2)CC1', 'yield': '88.3%'} |
426 | Reaction information for Cc1oc(-c2ccccc2)nc1COc1cncc(COc2ccccc2CC(=O)O)c1
{'reactant': 'COC(=O)Cc1ccccc1OCc1cncc(OCc2nc(-c3ccccc3)oc2C)c1', 'reagent': 'C1CCOC1.CO.Cl.O.[Na+].[OH-]', 'product': 'Cc1oc(-c2ccccc2)nc1COc1cncc(COc2ccccc2CC(=O)O)c1', 'yield': '97.6%'} |
427 | Reaction information for O=C(O)C(CCC1OCCCO1)NCc1ccccc1
{'reactant': 'CCOC(=O)C(CCC1OCCCO1)NCc1ccccc1', 'reagent': 'O.O.OCC1CCCO1.[Li+].[OH-]', 'product': 'O=C(O)C(CCC1OCCCO1)NCc1ccccc1', 'yield': '84.7%'} |
428 | Reaction information for O=C(c1ccc(OCC2CCCCO2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
{'reactant': 'COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(OCC3CCCCO3)cc2)cc1', 'reagent': 'CCS.[Al+3].[Cl-].[Cl-].[Cl-]', 'product': 'O=C(c1ccc(OCC2CCCCO2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12', 'yield': '62.0%'} |
429 | Reaction information for Cc1cc(N)nc(C)c1NC(=O)CCl
{'reactant': 'Cc1cc(N)nc(C)c1N.O=C(Cl)CCl', 'reagent': 'CC(=O)O.Cc1ccccc1.O=C([O-])[O-].[Na+].[Na+]', 'product': 'Cc1cc(N)nc(C)c1NC(=O)CCl', 'yield': '50.7%'} |
430 | Reaction information for NNC(=O)C(O)C1CC1
{'reactant': 'COC(=O)C(O)C1CC1.NN', 'reagent': 'CO.O', 'product': 'NNC(=O)C(O)C1CC1', 'yield': '69.0%'} |
431 | Reaction information for O=C(CCCCCCCCCc1ccccc1)NCc1ccccc1
{'reactant': 'NCc1ccccc1.O=C(O)CCCCCCCCCc1ccccc1', 'reagent': 'CCOC(C)=O.CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl.O=C([O-])O.[Na+]', 'product': 'O=C(CCCCCCCCCc1ccccc1)NCc1ccccc1', 'yield': '97.9%'} |
432 | Reaction information for CCCC1(CC(=O)O)OCCc2c1[nH]c1c(C)ccc(C(=O)NC)c21
{'reactant': 'CCCC1(CC(=O)OCC)OCCc2c1[nH]c1c(C)ccc(C(=O)NC)c21', 'reagent': 'C1CCOC1.CO.[Na+].[OH-]', 'product': 'CCCC1(CC(=O)O)OCCc2c1[nH]c1c(C)ccc(C(=O)NC)c21', 'yield': '83.5%'} |
433 | Reaction information for CN1CCN(CCCOc2ccc(-c3cc4c(C(=O)O)c[nH]c4cc3Cl)cc2)CC1
{'reactant': 'COC(=O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCCN4CCN(C)CC4)cc3)cc12', 'reagent': 'CO.[Na+].[OH-]', 'product': 'CN1CCN(CCCOc2ccc(-c3cc4c(C(=O)O)c[nH]c4cc3Cl)cc2)CC1', 'yield': '27.3%'} |
434 | Reaction information for CN1CC(C(=O)N(Cc2ccc(F)cc2)OCC(=O)O)=C(O)C1=O
{'reactant': 'CN1CC(C(=O)N(Cc2ccc(F)cc2)OCC(=O)OC(C)(C)C)=C(O)C1=O', 'reagent': 'ClCCl.O=C(O)C(F)(F)F', 'product': 'CN1CC(C(=O)N(Cc2ccc(F)cc2)OCC(=O)O)=C(O)C1=O', 'yield': '78.4%'} |
435 | Reaction information for Oc1ccc(-c2cc(F)c(F)cc2F)cc1
{'reactant': 'OB(O)c1cc(F)c(F)cc1F.Oc1ccc(I)cc1', 'reagent': 'CCOC(C)=O.CN(C)C=O.O.O=C([O-])[O-].[K+].[K+]', 'product': 'Oc1ccc(-c2cc(F)c(F)cc2F)cc1', 'yield': '74.9%'} |
436 | Reaction information for Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCOCc2ccncc2)c1C
{'reactant': 'Cc1nc(Cl)c([N+](=O)[O-])c(NCCOCc2ccncc2)c1C.Oc1ccccc1', 'reagent': 'CCOC(C)=O.COCCOCCOC.[H-].[Na+]', 'product': 'Cc1nc(Oc2ccccc2)c([N+](=O)[O-])c(NCCOCc2ccncc2)c1C', 'yield': '20.8%'} |
437 | Reaction information for Nc1cccc(C(F)(F)F)c1O
{'reactant': 'O=[N+]([O-])c1cccc(C(F)(F)F)c1O', 'reagent': 'C.CCO.[Pd]', 'product': 'Nc1cccc(C(F)(F)F)c1O', 'yield': '99.2%'} |
438 | Reaction information for Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)C)cn1
{'reactant': 'CC(C)N.Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)O)cn1', 'reagent': 'Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)O)cn1', 'product': 'Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)C)cn1', 'yield': '76.0%'} |
439 | Reaction information for C=CC12CCC(O1)C(C)(CCCOS(C)(=O)=O)OC2
{'reactant': 'C=CC12CCC(O1)C(C)(CCCO)OC2.CS(=O)(=O)Cl', 'reagent': 'CCN(CC)CC.CO.ClCCl', 'product': 'C=CC12CCC(O1)C(C)(CCCOS(C)(=O)=O)OC2', 'yield': '89.8%'} |
440 | Reaction information for CC(=O)Nc1nc(CCc2ccc(CC#N)cc2)cs1
{'reactant': 'CC(=O)Nc1nc(CCc2ccc(CCl)cc2)cs1.[C-]#N', 'reagent': 'CN(C)C=O.O.[Na+]', 'product': 'CC(=O)Nc1nc(CCc2ccc(CC#N)cc2)cs1', 'yield': '67.0%'} |
441 | Reaction information for CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)C(C)(C)C
{'reactant': 'CN[C@H](CN1CCCC1)C(C)(C)C.O=C(Cl)c1ccc(Cl)c(Cl)c1', 'reagent': 'CN(C)C=O.CN1CCOCC1', 'product': 'CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)C(C)(C)C', 'yield': '74.7%'} |
442 | Reaction information for CCOC(=O)C1(c2cc(Cl)c(N)c(OCC(F)(F)F)c2)CCCC1
{'reactant': 'CCOC(=O)C1(c2ccc(N)c(OCC(F)(F)F)c2)CCCC1.O=C1CCC(=O)N1Cl', 'reagent': 'ClC(Cl)Cl.O', 'product': 'CCOC(=O)C1(c2cc(Cl)c(N)c(OCC(F)(F)F)c2)CCCC1', 'yield': '76.3%'} |
443 | Reaction information for CCCc1cc(C(F)(F)F)ccc1C=C(C)C(=O)O
{'reactant': 'CCCc1cc(C(F)(F)F)ccc1C=C(C)C(=O)OCC', 'reagent': 'C1CCOC1.O.[Li+].[OH-]', 'product': 'CCCc1cc(C(F)(F)F)ccc1C=C(C)C(=O)O', 'yield': '95.9%'} |
444 | Reaction information for COc1cc2nccc(Oc3ccc(NC(=O)OCC4CCC4)c(C)c3C)c2cc1OC
{'reactant': 'COc1cc2nccc(Oc3ccc(N)c(C)c3C)c2cc1OC.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl.OCC1CCC1', 'reagent': 'CCN(CC)CC.Cc1ccccc1.ClCCl.O=C([O-])O.[Na+]', 'product': 'COc1cc2nccc(Oc3ccc(NC(=O)OCC4CCC4)c(C)c3C)c2cc1OC', 'yield': '85.3%'} |
445 | Reaction information for N#Cc1ccc(C(=O)O)cc1Br
{'reactant': 'COC(=O)c1ccc(C#N)c(Br)c1', 'reagent': 'CO.ClCCl.[Na+].[OH-]', 'product': 'N#Cc1ccc(C(=O)O)cc1Br', 'yield': '100.0%'} |
446 | Reaction information for CC(=CCCCO)CCCC(C)CCCC(C)C
{'reactant': 'COC(=O)CCC=C(C)CCCC(C)CCCC(C)C', 'reagent': 'C1CCOC1.O=S(=O)([O-])[O-].[Al+3].[H-].[H-].[H-].[Na+].[Na+]', 'product': 'CC(=CCCCO)CCCC(C)CCCC(C)C', 'yield': '100.0%'} |
447 | Reaction information for O=C(Cc1cccs1)Nc1cc2ccc(C(F)(F)F)cc2nc1Cl
{'reactant': 'Nc1cc2ccc(C(F)(F)F)cc2nc1Cl.O=C(Cl)Cc1cccs1', 'reagent': 'CCCCCC.CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl', 'product': 'O=C(Cc1cccs1)Nc1cc2ccc(C(F)(F)F)cc2nc1Cl', 'yield': '43.8%'} |
448 | Reaction information for CCCOC(C)Cc1ccc(-c2ccc(O)cc2)cc1
{'reactant': 'CCCOC(C)Cc1ccc(-c2ccc(OC(C)=O)cc2)cc1', 'reagent': 'CCOC(C)=O.CO.Cl.[Na+].[OH-]', 'product': 'CCCOC(C)Cc1ccc(-c2ccc(O)cc2)cc1', 'yield': '100.0%'} |
449 | Reaction information for CN(CCCN)CCCNS(=O)(=O)c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1
{'reactant': 'CN(CCCN)CCCN.CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)Cl)c2)C1', 'reagent': 'CCN(CC)CC.ClCCl', 'product': 'CN(CCCN)CCCNS(=O)(=O)c1cccc(C2CN(C)Cc3c(Cl)cc(Cl)cc32)c1', 'yield': '76.0%'} |
450 | Reaction information for O=C(C(Cl)Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
{'reactant': 'O=C(Cl)C(Cl)Cl.O=[N+]([O-])c1ccc(N2CCNCC2)cc1', 'reagent': 'CCN(CC)CC.Cc1ccccc1', 'product': 'O=C(C(Cl)Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1', 'yield': '45.9%'} |
451 | Reaction information for Cc1ccc(F)cc1S(=O)(=O)Nc1cc(Br)cnc1Cl
{'reactant': 'Cc1ccc(F)cc1S(=O)(=O)Cl.Nc1cc(Br)cnc1Cl', 'reagent': 'c1ccncc1', 'product': 'Cc1ccc(F)cc1S(=O)(=O)Nc1cc(Br)cnc1Cl', 'yield': '59.3%'} |
452 | Reaction information for CCN1c2ncc(CO)cc2NC(=O)[C@@H]1C
{'reactant': 'CCN1c2ncc(C(=O)OC)cc2NC(=O)[C@@H]1C', 'reagent': 'C1CCOC1.[Al+3].[H-].[H-].[H-].[H-].[H-].[Li+].[Na+]', 'product': 'CCN1c2ncc(CO)cc2NC(=O)[C@@H]1C', 'yield': '0.1%'} |
453 | Reaction information for CCNC(=O)CC[C@H](N)C(=O)O
{'reactant': 'CCN.COC(=O)CC[C@H](N)C(=O)O', 'reagent': 'CC(=O)CC(C)=O.CCCCN(CCCC)CCCC.CO', 'product': 'CCNC(=O)CC[C@H](N)C(=O)O', 'yield': '66.7%'} |
454 | Reaction information for CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2ccc(C(=O)O)cc21
{'reactant': 'COC(=O)c1ccc2c(c1)C(C(=O)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2', 'reagent': 'CO.Cl.[Na+].[OH-]', 'product': 'CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2ccc(C(=O)O)cc21', 'yield': '92.5%'} |
455 | Reaction information for CCOC(=O)c1oc2cccc(CBr)c2c1C
{'reactant': 'BrC(Br)(Br)Br.CCOC(=O)c1oc2cccc(CO)c2c1C', 'reagent': 'C1CCOC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1', 'product': 'CCOC(=O)c1oc2cccc(CBr)c2c1C', 'yield': '77.1%'} |
456 | Reaction information for Cc1cc(C)cc(-c2cc(C)c(-n3ccnc3-c3ccc(F)cc3)c(C)c2)c1
{'reactant': 'Cc1cc(Br)cc(C)c1-n1ccnc1-c1ccc(F)cc1.Cc1cc(C)cc(B(O)O)c1', 'reagent': 'CC(=O)[O-].CC(=O)[O-].COCCOC.O.O=C([O-])[O-].[K+].[K+].[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1', 'product': 'Cc1cc(C)cc(-c2cc(C)c(-n3ccnc3-c3ccc(F)cc3)c(C)c2)c1', 'yield': '91.5%'} |
457 | Reaction information for O=C(c1ccccc1)N1CCCC(Cc2ccccc2)(C(=O)O)C1
{'reactant': 'CCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2ccccc2)C1', 'reagent': 'CCO.[Na+].[OH-]', 'product': 'O=C(c1ccccc1)N1CCCC(Cc2ccccc2)(C(=O)O)C1', 'yield': '55.7%'} |
458 | Reaction information for O=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ncc(Br)cn3)c2)CC1
{'reactant': 'Brc1cnc(Oc2cccc(C=C3CCNCC3)c2)nc1.O=C(Nc1cccnc1)Oc1ccccc1', 'reagent': 'CC#N.CCN(C(C)C)C(C)C.Nc1cccnc1.O=C(O)C(F)(F)F', 'product': 'O=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ncc(Br)cn3)c2)CC1', 'yield': '78.0%'} |
459 | Reaction information for CN(C)CCN1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC1=O
{'reactant': 'COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)N(CCN(C)C)Cc1ccccc1-3', 'reagent': 'BrB(Br)Br.ClCCl', 'product': 'CN(C)CCN1Cc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2CC1=O', 'yield': '20.0%'} |
460 | Reaction information for CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC2(CCN(CC(N)=O)CC2)CC1
{'reactant': 'CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC2(CCNCC2)CC1.NC(=O)CCl', 'reagent': 'CCN(CC)CC.CN(C)C=O.O', 'product': 'CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC2(CCN(CC(N)=O)CC2)CC1', 'yield': '91.7%'} |
461 | Reaction information for Cc1cc(O)c2c(c1)CCCC2
{'reactant': 'CC(=O)Oc1cc(C)cc2c1CCCC2', 'reagent': 'C1CCOC1.CO.[Na+].[OH-]', 'product': 'Cc1cc(O)c2c(c1)CCCC2', 'yield': '99.0%'} |
462 | Reaction information for Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC2CN(Cc3ccc(Cl)cc3Cl)CC2C1
{'reactant': 'Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC2CNCC2C1.O=Cc1ccc(Cl)cc1Cl', 'reagent': 'C1CCOC1.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCOC(C)=O.[Cl-].[NH4+].[Na+]', 'product': 'Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC2CN(Cc3ccc(Cl)cc3Cl)CC2C1', 'yield': '59.9%'} |
463 | Reaction information for NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCCl)CC3)c[nH]c12
{'reactant': 'NC(=O)c1cc(-c2ccccc2)cc2c(C3CCNCC3)c[nH]c12.O=S(=O)(Cl)CCCCl', 'reagent': 'CCN(CC)CC.ClCCl', 'product': 'NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)CCCCl)CC3)c[nH]c12', 'yield': '63.9%'} |
464 | Reaction information for Brc1cccc2ccc(Oc3ccccc3)nc12
{'reactant': 'Clc1ccc2cccc(Br)c2n1.Oc1ccccc1', 'reagent': 'C1CCOC1.[H-].[Na+]', 'product': 'Brc1cccc2ccc(Oc3ccccc3)nc12', 'yield': '41.0%'} |
465 | Reaction information for CC(C(=O)O)c1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1
{'reactant': 'CC(C(=O)OC(C)(C)C)c1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1', 'reagent': 'O=CO', 'product': 'CC(C(=O)O)c1ccc(N2Cc3ccc(Cl)cc3C2=O)cc1', 'yield': '88.8%'} |
466 | Reaction information for Oc1cc2ccccc2cc1OCCOc1ccccc1
{'reactant': 'BrCCOc1ccccc1.Oc1cc2ccccc2cc1O', 'reagent': 'CN(C)C=O.O.O=C([O-])O.[Na+]', 'product': 'Oc1cc2ccccc2cc1OCCOc1ccccc1', 'yield': '40.0%'} |
467 | Reaction information for C=CCN(c1ncnc2c1ncn2CC(C)OC(C)=O)C1CCCCC1
{'reactant': 'C=CCN(c1ncnc2c1ncn2CC(C)O)C1CCCCC1.CC(=O)OC(C)=O', 'reagent': 'O.c1ccncc1', 'product': 'C=CCN(c1ncnc2c1ncn2CC(C)OC(C)=O)C1CCCCC1', 'yield': '67.0%'} |
468 | Reaction information for Cn1nnc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc21
{'reactant': 'Cn1nnc2cc(C(=O)O)ccc21.c1ccc2c(c1)C[C@@H]1NCCC[C@H]21', 'reagent': 'CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F', 'product': 'Cn1nnc2cc(C(=O)N3CCC[C@@H]4c5ccccc5C[C@@H]43)ccc21', 'yield': '65.0%'} |
469 | Reaction information for OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCNC1
{'reactant': 'OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCN(Cc2ccccc2)C1', 'reagent': 'CCO.[Pd]', 'product': 'OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CCNC1', 'yield': '91.1%'} |
470 | Reaction information for O=C(NCCCNCCc1ccc(Cl)cc1)Nc1ccccc1
{'reactant': 'NCCc1ccc(Cl)cc1.O=C(NCCCBr)Nc1ccccc1', 'reagent': 'CC#N.O=C([O-])[O-].[K+].[K+]', 'product': 'O=C(NCCCNCCc1ccc(Cl)cc1)Nc1ccccc1', 'yield': '44.7%'} |
471 | Reaction information for FC(F)(F)c1cccc(N2CCNCC2)n1
{'reactant': 'C1CNCCN1.FC(F)(F)c1cccc(Cl)n1', 'reagent': 'CCN(CC)CC.CN(C)C=O', 'product': 'FC(F)(F)c1cccc(N2CCNCC2)n1', 'yield': '82.6%'} |
472 | Reaction information for O=C(O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccco2)c1
{'reactant': 'COC(=O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccco2)c1', 'reagent': 'C1CCOC1.CO.[Li+].[OH-]', 'product': 'O=C(O)c1cc2c([nH]1)CCC2Cc1cccc(-c2ccco2)c1', 'yield': '61.0%'} |
473 | Reaction information for CSc1ccccc1-c1cc(C=O)c[nH]1
{'reactant': 'CSc1ccccc1B(O)O.O=Cc1c[nH]c(Br)c1', 'reagent': 'COCCOC.O.O=C([O-])[O-].[Na+].[Na+]', 'product': 'CSc1ccccc1-c1cc(C=O)c[nH]1', 'yield': '69.0%'} |
474 | Reaction information for CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnccc21
{'reactant': 'CC(C)(CO[Si](C)(C)C(C)(C)C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnccc21', 'reagent': 'C1CCOC1.C1COCCO1.Cl', 'product': 'CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnccc21', 'yield': '69.0%'} |
475 | Reaction information for C=CCNc1nc(NCCOC)nc2ccc([N+](=O)[O-])cc12
{'reactant': 'C=CCNc1nc(Cl)nc2ccc([N+](=O)[O-])cc12.COCCN', 'reagent': 'O', 'product': 'C=CCNc1nc(NCCOC)nc2ccc([N+](=O)[O-])cc12', 'yield': '74.5%'} |
476 | Reaction information for COc1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2cc1OCC1CC2CN(C)CC2C1
{'reactant': 'COc1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OCC1CC2CN(C)CC2C1.O=C(Cc1ccccc1)N=C=S', 'reagent': 'CCO.Cc1ccccc1', 'product': 'COc1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)ccnc2cc1OCC1CC2CN(C)CC2C1', 'yield': '48.9%'} |
477 | Reaction information for CC(=O)OCCCCCCSC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O
{'reactant': 'CC(=O)OC(C)=O.CC(C)(C)[Si](C)(C)OC1C=C(SCCCCCCO)C(=O)C1', 'reagent': 'CO.c1ccncc1', 'product': 'CC(=O)OCCCCCCSC1=CC(O[Si](C)(C)C(C)(C)C)CC1=O', 'yield': '96.5%'} |
478 | Reaction information for CCc1ccc(Nc2nc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1
{'reactant': 'CCc1ccc(Nc2nc(Cl)ccc2[N+](=O)[O-])cc1.OCc1ccccc1', 'reagent': 'C1CCOC1.[H-].[Na+]', 'product': 'CCc1ccc(Nc2nc(OCc3ccccc3)ccc2[N+](=O)[O-])cc1', 'yield': '70.1%'} |
479 | Reaction information for COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CN(CCO)C1
{'reactant': 'COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CNC1.OCCCl', 'reagent': 'CC#N.CCN(C(C)C)C(C)C.[I-].[K+]', 'product': 'COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)C1(C(N)=O)CN(CCO)C1', 'yield': '10.9%'} |
480 | Reaction information for Fc1c(Cl)cccc1CCCBr
{'reactant': 'O=C1CCC(=O)N1Br.OCCCc1cccc(Cl)c1F', 'reagent': 'ClCCl.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1', 'product': 'Fc1c(Cl)cccc1CCCBr', 'yield': '87.1%'} |
481 | Reaction information for COC(=O)CN(C)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1
{'reactant': 'COC(=O)CN(C)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)OC(C)(C)C)n1', 'reagent': 'ClCCl.O=C(O)C(F)(F)F', 'product': 'COC(=O)CN(C)C(=O)c1noc([C@H](CCCC2CCCCC2)CC(=O)O)n1', 'yield': '98.6%'} |
482 | Reaction information for CC(C)(C)c1cc(NS(C)(=O)=O)cc(C(C)(C)C)c1O
{'reactant': 'CC(C)(C)c1cc(N)cc(C(C)(C)C)c1O.CS(=O)(=O)Cl', 'reagent': 'ClC(Cl)Cl.[Na+].[OH-]', 'product': 'CC(C)(C)c1cc(NS(C)(=O)=O)cc(C(C)(C)C)c1O', 'yield': '18.0%'} |
483 | Reaction information for Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C4CC4)c3n2)c2ccc(Cl)cc21
{'reactant': 'CC(C)(N)C1CC1.Cn1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)c2ccc(Cl)cc21', 'reagent': 'CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.CN(C)c1ccncc1.Cl.F[P-](F)(F)(F)(F)F.O', 'product': 'Cn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C4CC4)c3n2)c2ccc(Cl)cc21', 'yield': '24.2%'} |
484 | Reaction information for O=C(O)c1cc2scc(Cl)c2[nH]1
{'reactant': 'COC(=O)c1cc2scc(Cl)c2[nH]1', 'reagent': 'CO.[Li+].[OH-]', 'product': 'O=C(O)c1cc2scc(Cl)c2[nH]1', 'yield': '100.0%'} |
485 | Reaction information for Cc1oc(-c2ccccc2)nc1CCc1ccc(COc2ccccc2CC(=O)O)cc1
{'reactant': 'COC(=O)Cc1ccccc1OCc1ccc(CCc2nc(-c3ccccc3)oc2C)cc1', 'reagent': 'C1CCOC1.CCO.Cl.O.[Na+].[OH-]', 'product': 'Cc1oc(-c2ccccc2)nc1CCc1ccc(COc2ccccc2CC(=O)O)cc1', 'yield': '77.2%'} |
486 | Reaction information for COC(=O)c1ccc2[nH]c(=O)c(N3CCC[C@@H]3C)nc2c1
{'reactant': 'COC(=O)c1ccc2[nH]c(=O)c(Cl)nc2c1.C[C@H]1CCCN1', 'reagent': 'CCN(C(C)C)C(C)C.CS(C)=O', 'product': 'COC(=O)c1ccc2[nH]c(=O)c(N3CCC[C@@H]3C)nc2c1', 'yield': '35.9%'} |
487 | Reaction information for CC(=O)c1c(C)cc(OS(=O)(=O)C(F)(F)F)cc1C
{'reactant': 'CC(=O)c1c(C)cc(O)cc1C.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F', 'reagent': 'CCN(CC)CC.ClCCl.O', 'product': 'CC(=O)c1c(C)cc(OS(=O)(=O)C(F)(F)F)cc1C', 'yield': '84.5%'} |
488 | Reaction information for N#Cc1cc([N+](=O)[O-])ccc1-c1ccccc1
{'reactant': 'N#Cc1ccccc1-c1ccccc1.O=[N+]([O-])[O-]', 'reagent': 'ClC(Cl)Cl.O=C(OC(=O)C(F)(F)F)C(F)(F)F.[NH4+]', 'product': 'N#Cc1cc([N+](=O)[O-])ccc1-c1ccccc1', 'yield': '94.4%'} |
489 | Reaction information for C[C@@H](CCC/C=C\CCCC(=O)OCc1ccccc1)N(CCO)C(=O)OC(C)(C)C
{'reactant': 'C[C@@H](CCC/C=C\\CCCC(=O)OCc1ccccc1)N(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C', 'reagent': 'C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]', 'product': 'C[C@@H](CCC/C=C\\CCCC(=O)OCc1ccccc1)N(CCO)C(=O)OC(C)(C)C', 'yield': '95.7%'} |
490 | Reaction information for CN(C)c1nc(-c2ccco2)c2ncn(COCC[Si](C)(C)C)c2n1
{'reactant': 'CNC.C[Si](C)(C)CCOCn1cnc2c(-c3ccco3)nc(Cl)nc21', 'reagent': 'CC(C)O.O', 'product': 'CN(C)c1nc(-c2ccco2)c2ncn(COCC[Si](C)(C)C)c2n1', 'yield': '86.0%'} |
491 | Reaction information for c1ccc(-c2ccccc2)cc1
{'reactant': 'Brc1ccccc1.OB(O)c1ccccc1', 'reagent': 'C1CCOC1.O.O=C([O-])[O-].[K+].[K+]', 'product': 'c1ccc(-c2ccccc2)cc1', 'yield': '64.1%'} |
492 | Reaction information for Cc1cc([N+](=O)[O-])ccc1CC(NC(=O)OCc1ccccc1)C(=O)O
{'reactant': 'COC(=O)C(Cc1ccc([N+](=O)[O-])cc1C)NC(=O)OCc1ccccc1', 'reagent': 'C1CCOC1.O.[Li+].[OH-]', 'product': 'Cc1cc([N+](=O)[O-])ccc1CC(NC(=O)OCc1ccccc1)C(=O)O', 'yield': '48.1%'} |
493 | Reaction information for CC(CO)(CO)C(=O)OCc1ccccc1
{'reactant': 'BrCc1ccccc1.CC(CO)(CO)C(=O)O', 'reagent': 'CN(C)C=O.[K+].[OH-]', 'product': 'CC(CO)(CO)C(=O)OCc1ccccc1', 'yield': '64.9%'} |
494 | Reaction information for O=[N+]([O-])c1cnc(-c2cnn3ccncc23)nc1NC1CCOCC1
{'reactant': 'NC1CCOCC1.O=[N+]([O-])c1cnc(-c2cnn3ccncc23)nc1Cl', 'reagent': 'C1CCOC1.CC(=O)O.CCN(C(C)C)C(C)C', 'product': 'O=[N+]([O-])c1cnc(-c2cnn3ccncc23)nc1NC1CCOCC1', 'yield': '70.0%'} |
495 | Reaction information for Cc1cccc(CCC(=O)OC(C)(C)C)c1C=O
{'reactant': 'Cc1cccc(CCC(=O)OC(C)(C)C)c1CO', 'reagent': 'CCN(CC)CC.CCOC(C)=O.CS(C)=O.Cl', 'product': 'Cc1cccc(CCC(=O)OC(C)(C)C)c1C=O', 'yield': '92.6%'} |
496 | Reaction information for CC1(CC(=O)NO)C(=O)N2CCCC(C(=O)O)N2C1=O
{'reactant': 'CC(C)(C)OC(=O)C1CCCN2C(=O)C(C)(CC(=O)NO)C(=O)N12', 'reagent': 'O=C(O)C(F)(F)F', 'product': 'CC1(CC(=O)NO)C(=O)N2CCCC(C(=O)O)N2C1=O', 'yield': '31.4%'} |
497 | Reaction information for CN(C)CCOc1cc([N+](=O)[O-])ccc1-c1nc2ccccc2s1
{'reactant': 'CN(C)CCO.O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)c(O)c1', 'reagent': 'C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1', 'product': 'CN(C)CCOc1cc([N+](=O)[O-])ccc1-c1nc2ccccc2s1', 'yield': '47.1%'} |
498 | Reaction information for CCS(=O)(=O)NC(=O)c1cccc(N)c1
{'reactant': 'CCS(=O)(=O)NC(=O)c1cccc([N+](=O)[O-])c1', 'reagent': 'CCO.O.[Pd]', 'product': 'CCS(=O)(=O)NC(=O)c1cccc(N)c1', 'yield': '73.8%'} |
499 | Reaction information for CC(=O)Nc1nc2cnc(N(c3cccc(N)c3)C3CC3)nc2s1
{'reactant': 'CC(=O)Nc1nc2cnc(N(c3cccc(NC(=O)OC(C)(C)C)c3)C3CC3)nc2s1', 'reagent': 'COc1ccccc1.O=C(O)C(F)(F)F', 'product': 'CC(=O)Nc1nc2cnc(N(c3cccc(N)c3)C3CC3)nc2s1', 'yield': '80.0%'} |
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