text
stringlengths 25
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| label
int64 0
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|---|---|
C1CCOC1.CCOC(=O)Cc1cnc(Nc2n[nH]c3ccc(-c4ncccc4Cl)cc23)s1.Cl.O=C([O-])O~[Na+].[BH4-]~[Li+]>>OCCc1cnc(Nc2n[nH]c3ccc(-c4ncccc4Cl)cc23)s1 | 225 |
CCOC(C)=O.Nc1cc(C(F)(F)F)ccc1O.O.O=C(Cl)CCl.O=C([O-])O.[Na+]>>O=C(CCl)Nc1cc(C(F)(F)F)ccc1O | 9 |
CC(C)Oc1nn(CCOCc2ccccc2)cc1CCOc1ncc(C(F)(F)F)cc1Cl.OCCC1CCCO1.[C]~[Pd]>>CC(C)Oc1nn(CCO)cc1CCOc1ncc(C(F)(F)F)cc1Cl | 178 |
CCOCC.COc1ccc(C(=O)[C@@H](C)c2ccccc2)cc1.Cl.[Al+3]~[Cl-]~[Cl-]~[Cl-].[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>COc1ccc(C[C@@H](C)c2ccccc2)cc1 | 92 |
CC(=O)O.CN(C)C=O.N#Cc1c[nH]c(=O)c2ccsc12.O.O=C([O-])O.O=C1CCC(=O)N1Br.[Na+]>>N#Cc1c[nH]c(=O)c2cc(Br)sc12 | 807 |
CCN(CC)CC.CCN=C=NCCCN(C)C~Cl.CCOC(=O)c1ccc(OCCN)cc1~Cl.CCOC(C)=O.CN(C)C=O.O=C(O)c1cc2ccccc2o1.O~On1nnc2ccccc21>>CCOC(=O)c1ccc(OCCNC(=O)c2cc3ccccc3o2)cc1 | 714 |
CCN(CC)CC.CCOC(=O)Cn1nc(Cc2ccc(N)cc2)c2ccccc21.ClCCl.O=C(Cl)c1ccc2ccccc2c1.O=C([O-])O.[Na+]>>CCOC(=O)Cn1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)c2ccccc21 | 11 |
BrCCCBr.C1CCOC1.CCO.Fc1ccc(S)c(Cl)c1.[H-].[H][H].[Na+]>>Fc1ccc(SCCCBr)c(Cl)c1 | 124 |
CCN=C=NCCCN(C)C~Cl.CCOC(=O)c1cccc(N2CC(N)C2)c1.CCc1[nH]c(C(=O)O)nc1Cl.CN1CCOCC1.On1nnc2ccccc21>>CCOC(=O)c1cccc(N2CC(NC(=O)c3nc(Cl)c(CC)[nH]3)C2)c1 | 951 |
C1CCOC1.CO.COC(=O)c1sc2cc(Cl)ccc2c1OCCCC#N.O.[Cl-]~[NH4+].[Li+]~[OH-]>>N#CCCCOc1c(C(=O)O)sc2cc(Cl)ccc12 | 152 |
CCN=C=NCCCN(C)C.CN(C)C=O.Cc1c(F)cc(C(=O)O)cc1-c1ccc2c(-c3ccc(F)cc3)n[nH]c2c1.Cc1cnn(C)c1N.Cl.On1nnc2cccnc21>>Cc1cnn(C)c1NC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4ccc(F)cc4)n[nH]c3c2)c1 | 917 |
CC(C)(C)OC(=O)N1CCC(=O)CC1.CO.O=C(O)c1ccc2[nH]ccc2c1.[K+]~[OH-]>>CC(C)(C)OC(=O)N1CC=C(c2c[nH]c3ccc(C(=O)O)cc23)CC1 | 607 |
BrCCCBr.CC(=O)Nc1ccc(O)cc1.CN(C)C=O.O=C([O-])[O-].[K+].[K+]>>CC(=O)Nc1ccc(OCCCBr)cc1 | 75 |
C1COCCO1.CN(Cc1ccc(Oc2ccc(Br)cc2)cc1)C[C@H]1CCCN1C(=O)OC(C)(C)C.Cl>>CN(Cc1ccc(Oc2ccc(Br)cc2)cc1)C[C@H]1CCCN1 | 575 |
C1CCOC1~CO.COC(=O)c1ccc(OC)cc1-n1cc(C(=O)N(c2ccccc2)c2ccc(OCc3ccccc3)cc2)c2ccccc21.Cl.[Na+]~[OH-]>>COc1ccc(C(=O)O)c(-n2cc(C(=O)N(c3ccccc3)c3ccc(OCc4ccccc4)cc3)c3ccccc32)c1 | 222 |
C1CCOC1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCOC(C)=O.C[C@@H]1CN([C@H](c2ccsc2)c2cccc(O)c2)[C@@H](C)CN1.O=Cc1ccc(F)cc1.OCc1ccc(F)cc1.[Na+]>>C[C@@H]1CN([C@H](c2ccsc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccc(F)cc1 | 765 |
CCO.CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(C(=O)N3CCC(F)(F)C3)cc(-c3ccsc3)c2)c1CCC(=O)OCC.CN(C)C(=O)c1cc(OCCCCCCc2cccc(OCCCC(=O)O)c2CCC(=O)O)cc(-c2ccc(F)c(F)c2)c1.[Na+]~[OH-]>>O=C(O)CCCOc1cccc(CCCCCCOc2cc(C(=O)N3CCC(F)(F)C3)cc(-c3ccsc3)c2)c1CCC(=O)O | 255 |
CCO.Cl.O.O=C(O)c1ccc(O)cc1.OCCCCCCCCCCCl.[I-]~[K+].[K+]~[OH-]>>O=C(O)c1ccc(OCCCCCCCCCCO)cc1 | 74 |
CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1CO.ClC(Cl)Cl.[Mn+4].[O-2].[O-2]>>CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1C=O | 179 |
BrCc1ccccc1.CCOC(C)=O.CN(C)C=O.O.O=C([O-])[O-].Oc1cncc(Br)c1.[K+].[K+]>>Brc1cncc(OCc2ccccc2)c1 | 623 |
CC#N.CCN(C(C)C)C(C)C.Cl.Fc1cc2nc(Cl)[nH]c2cc1F.O=c1c2c(nc(SCc3ccccc3)n1-c1ccccc1)CCNC2>>O=c1c2c(nc(SCc3ccccc3)n1-c1ccccc1)CCN(c1nc3cc(F)c(F)cc3[nH]1)C2 | 36 |
Cc1ccc2nc(C)[nH]c(=O)c2c1.ClCCCl.O=C(OOC(=O)c1ccccc1)c1ccccc1.O=C1CCC(=O)N1Br>>Cc1nc2ccc(CBr)cc2c(=O)[nH]1 | 29 |
CC(C)(C)OC(=O)NCCBr.N#Cc1ccc(Oc2cc(NC(=O)C3CCNCC3)cc(Oc3ccc(C#N)cc3)c2)cc1>>CC(C)(C)OC(=O)NCCN1CCC(C(=O)Nc2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(C#N)cc3)c2)CC1 | 73 |
C1CCOC1.CC(C)N1CC(=O)Nc2ccc(Br)cc21.CC(C)OB(OC(C)C)OC(C)C.CCOC(C)=O.Cl.[H-].[Li]CCCC.[Na+]>>CC(C)N1CC(=O)Nc2ccc(B(O)O)cc21 | 832 |
CC(C)(N)COc1cccc2c1C(N)=NS(=O)(=O)N2~Cl.O=Cc1cn(-c2cc(C(=O)O)ccn2)cn1>>CC(C)(COc1cccc2c1C(N)=NS(=O)(=O)N2)NC(=O)c1ccnc(-n2cnc(C=O)c2)c1 | 334 |
BrCCCCCCBr.C1CCOC1.CCCCCC~CCOC(C)=O.CCCC[N+](CCCC)(CCCC)CCCC~[Br-].Cc1ccccc1.O.OCCOCc1c(Cl)cccc1Cl>>Clc1cccc(Cl)c1COCCOCCCCCCBr | 95 |
C1CCOC1.COc1cc(OC)c(CSC(C)(C)CC(=O)O)c(OC)c1.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>COc1cc(OC)c(CSC(C)(C)CCO)c(OC)c1 | 231 |
CCO.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CCOC(C)=O.O=C[O-]~[NH4+].[Pd]>>CCOC(=O)c1cc2cc(N)ccc2[nH]1 | 1 |
C1COCCO1.CS(=O)(=O)c1ccc(B(O)O)cc1.Cl[Pd]Cl.NC(=O)c1ccc2cncc(Br)c2n1.O.O=C([O-])[O-].[Cs+].[Cs+].[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>CS(=O)(=O)c1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1 | 871 |
CCO.CN1CCNCC1.c1ccc2c(OCC3CO3)cccc2c1>>CN1CCN(CC(O)COc2cccc3ccccc23)CC1 | 76 |
COc1ccc(C(=O)Cl)cc1.ClCCl.NCc1ccc(N)cc1>>COc1ccc(C(=O)NCc2ccc(N)cc2)cc1 | 411 |
CCCOc1c(/C(C)=C(F)\C=C\C(C)=C\C(=O)OCC)cc2c(c1Br)C(C)(C)CC=C2C(C)C.CCO.[Na+]~[OH-]>>CCCOc1c(/C(C)=C(F)\C=C\C(C)=C/C(=O)O)cc2c(c1Br)C(C)(C)CC=C2C(C)C | 122 |
CO.O=c1cc(NCc2ccccc2)c2cnc(C(F)(F)F)nc2n1OCc1ccccc1.[C]~[Pd].[H][H]>>O=c1cc(NCc2ccccc2)c2cnc(C(F)(F)F)nc2n1O | 630 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CC(C)(C)OC(=O)NCCN.COc1cc(C=O)ccc1OCc1ccccc1.ClCCl>>COc1cc(CNCCNC(=O)OC(C)(C)C)ccc1OCc1ccccc1 | 468 |
C1CNCCN1.Cc1cc(Nc2cc(Cl)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1>>Cc1cc(Nc2cc(N3CCNCC3)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1 | 162 |
Fc1ccc(Br)cc1.O=Cc1ccc(F)cc1F.OC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1>>OC(c1ccc(F)cc1)c1ccc(F)cc1F | 379 |
CN(C)C=O.COc1ccc(Cn2c(=O)c3cc(O)ccc3n(C3CCS(=O)(=O)CC3)c2=O)cc1OC.N#CCBr.O=C([O-])[O-].[Cs+].[Cs+]>>COc1ccc(Cn2c(=O)c3cc(OCC#N)ccc3n(C3CCS(=O)(=O)CC3)c2=O)cc1OC | 802 |
CC(C)C[Al+]CC(C)C~[H-].CCOC(=O)/C(F)=C(/CC)c1cc2c(cc1OC)OC(C)(C)C=C2C(C)(C)C.CCOC(=O)C(F)=C(CC)c1cc2c(cc1OC)OC(C)(C)C=C2C(C)(C)C>>CC/C(=C(\F)CO)c1cc2c(cc1OC)OC(C)(C)C=C2C(C)(C)C | 150 |
Cc1c(Cl)cc(C(C)(C)C)c(O)c1C(=O)O.N#Cc1ccc(N)c(OC(F)(F)F)c1>>Cc1c(Cl)cc(C(C)(C)C)c(O)c1C(=O)Nc1ccc(C#N)cc1OC(F)(F)F | 50 |
CC(C)[C@H]1COCc2nc3cnc4ccccc4c3n21.ClCCl.O=C(OO)c1cccc(Cl)c1.O=C([O-])[O-]~[Na+]~[Na+]>>CC(C)[C@H]1COCc2nc3c[n+]([O-])c4ccccc4c3n21 | 820 |
CCN=C=NCCCN(C)C.CN(C)C=O.CN(C)c1ccncc1.COc1ccc(Cn2nccc2N)cc1C.Cc1cccc(-n2nnnc2SCC(=O)O)c1C.Cl>>COc1ccc(Cn2nccc2NC(=O)CSc2nnnn2-c2cccc(C)c2C)cc1C | 795 |
CO.Cl.Cn1c(=O)n(CCOC2CCCCO2)c(=O)c2c1nc(OCCOc1cccc(OC(F)(F)F)c1)n2Cc1ccc(Cl)cc1.O=C([O-])O.[Na+]>>Cn1c(=O)n(CCO)c(=O)c2c1nc(OCCOc1cccc(OC(F)(F)F)c1)n2Cc1ccc(Cl)cc1 | 543 |
C1CCC(NC2CC2)CC1.CCN(C(C)C)C(C)C.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F.O=C(O)C1CCCN(S(=O)(=O)c2ccccc2)C1>>O=C(C1CCCN(S(=O)(=O)c2ccccc2)C1)N(C1CCCCC1)C1CC1 | 146 |
CC(C)(C)OC(=O)N1CCN(CCCl)CC1.CN.CO.CO>>CNCCN1CCN(C(=O)OC(C)(C)C)CC1 | 279 |
CC(=O)O.ClI.O=C1COc2cc(F)ccc2N1.O=S([O-])O.[Na+]>>O=C1COc2cc(F)c(I)cc2N1 | 466 |
C1CCOC1.Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCC(O)CC(=O)O)c2c1.II.O.[BH4-]~[Na+]>>Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCC(O)CCO)c2c1 | 231 |
CCCCCn1/c(=N/N)[nH]c(=O)c2[nH]cnc21.CCN(CC)CC.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C~F[P-](F)(F)(F)(F)F.O.O=C(O)CCCc1nc(-c2ccccc2)no1>>CCCCCn1/c(=N/NC(=O)CCCc2nc(-c3ccccc3)no2)[nH]c(=O)c2[nH]cnc21 | 459 |
CO.COC(=O)COc1ccc(/C=C/c2n[nH]c3ccccc23)c([N+](=O)[O-])c1OC.Cl.[Na+].[OH-]>>COc1c(OCC(=O)O)ccc(/C=C/c2n[nH]c3ccccc23)c1[N+](=O)[O-] | 88 |
CC(=O)N(C)C.C[C@H]1CNC[C@@H](C)O1.Nc1cc(Cl)ccc1[N+](=O)[O-].O.O=C([O-])[O-].[K+].[K+]>>C[C@H]1CN(c2ccc([N+](=O)[O-])c(N)c2)C[C@@H](C)O1 | 105 |
C=CCBr.CO.Cc1ccc(O)c2c1CCC2=O.[K+]~[OH-]>>C=CCOc1ccc(C)c2c1C(=O)CC2 | 77 |
CC(=O)[O-].Cl.Nc1cc(F)c(N2CCC(=O)CC2)c(F)c1.O=N[O-].[N-]=[N+]=[N-].[Na+].[Na+].[Na+]>>[N-]=[N+]=Nc1cc(F)c(N2CCC(=O)CC2)c(F)c1 | 189 |
CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n([C@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn12.CCOC(C)=O.CS(C)=O.O=C([O-])O~[Na+].[Cl-]~[NH3+]O>>CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n([C@H]2CC[C@@H](OCC(C)(C)O)CC2)c2ncnn12 | 979 |
BrB(Br)Br.COC.COc1cc(Br)cc([N+](=O)[O-])c1.ClCCl>>O=[N+]([O-])c1cc(O)cc(Br)c1 | 48 |
C1CCOC1.CC(C)(C)[O-]~[K+].O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.Oc1cccc2ccc(F)cc12>>O=S(=O)(Oc1cccc2ccc(F)cc12)C(F)(F)F | 843 |
CCCCCC(O)CCC1C(O)CC2Cc3c(cccc3OCC(=O)OC)CC21.CCN(C(C)C)C(C)C.CN(C)c1ccncc1.COC(C)(C)C.ClCCl.O=C(Cl)C1CC1>>CCCCCC(O)CCC1C(OC(=O)C2CC2)CC2Cc3c(cccc3OCC(=O)OC)CC21 | 126 |
CCN(CC)CC.CCOC(=O)Cl.CN(C)C=O.NO.O=C(O)CNC(=O)C=C1c2ccccc2-c2ccccc21.O~[Cl-]~[Na+]>>O=C(C=C1c2ccccc2-c2ccccc21)NCC(=O)NO | 480 |
CCCCC(CCC(=O)O)C(F)(F)F.CCOCC.O=S(=O)([O-])[O-].[Al+3].[H-].[H-].[H-].[H-].[Li+]>>CCCCC(CCCO)C(F)(F)F | 231 |
CCCCC12CCC(=O)C(c3ccc(OCOC)cc3)=C1c1ccc(OC)cc1C2.CCOC(C)=O.CO.Cl>>CCCCC12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc(OC)cc1C2 | 755 |
C1CCOC1.CC/C=C\CCCCO.CCOC(=O)/N=N/C(=O)OCC.Oc1ccc(-c2ncc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cn2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CC/C=C\CCCCOc1ccc(-c2ncc(OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cn2)cc1 | 478 |
CCCC(O)CC1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1.Cc1ccccc1.ClCCl.O=[Cr](=O)([O-])Cl.c1cc[nH+]cc1>>CCCC(=O)CC1CCC(c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 | 87 |
CCc1ccc2c(Cl)ccnc2n1.COc1ccc(Sc2ccc(C)cc2N)cc1>>CCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(OC)cc3)ccnc2n1 | 922 |
BrB(Br)Br~ClCCl.CCOC(=O)C1(c2ccc(-c3ccc(-c4sc(Br)cc4C(=O)OCc4ccccc4)cc3)cc2)CC1.ClCCl>>CCOC(=O)C1(c2ccc(-c3ccc(-c4sc(Br)cc4C(=O)O)cc3)cc2)CC1 | 291 |
Cc1cc2ccccc2cn1.O=S(=O)(O)O.O=[N+]([O-])[O-].[K+].[Na+].[OH-]>>Cc1cc2c([N+](=O)[O-])cccc2cn1 | 103 |
C1COCCO1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Nc1cc(F)ccc1Br.O=C(NCC1CCOCC1)c1cnc(Cl)cc1C1CC1.O=C([O-])[O-]~[Cs+]~[Cs+]>>O=C(NCC1CCOCC1)c1cnc(Nc2cc(F)ccc2Br)cc1C1CC1 | 434 |
C1CCC(N2CCNCC2)C1.CC(=O)N(C)c1ccnc(Cl)c1>>CC(=O)N(C)c1ccnc(N2CCN(C3CCCC3)CC2)c1 | 220 |
C1CCOC1.Cc1cc(Br)ccc1Cl.Cl[Pd]Cl.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.O.O=C([O-])[O-].[Fe+2].[K+].[K+].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1>>Cc1cc(-c2cnn(C)c2)ccc1Cl | 971 |
Cc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)(C)C2.Cc1ccc(Br)cc1Cl.Cl>>Cc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)CC(C)(C)O4)CC2)cc1Cl | 294 |
C1CCOC1.Cl~NO.O.O=C([O-])[O-]~[Na+]~[Na+].O=Cc1ccc(Oc2cc(F)ccc2Br)cc1>>ON=Cc1ccc(Oc2cc(F)ccc2Br)cc1 | 30 |
CO.C[O-].Clc1nc2ccc(Br)cc2cc1Cc1ccccc1.[Na+]>>COc1nc2ccc(Br)cc2cc1Cc1ccccc1 | 433 |
CCOC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)c(-c3nn4c(C5CCCC5)nc(C)c4c(=O)[nH]3)c2)CC1.CO~O.O.[Na+]~[OH-]>>CCOc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1 | 7 |
Cc1ccc2on(C(c3ccccc3)(c3ccccc3)c3ccccc3)c(=O)c2c1.ClCCl.O.O=C1CCC(=O)N1Br>>O=c1c2cc(CBr)ccc2on1C(c1ccccc1)(c1ccccc1)c1ccccc1 | 29 |
CCO.CCOC(=O)c1c(C)nn(C2CCCC2)c1N.O.[Na+].[OH-]>>Cc1nn(C2CCCC2)c(N)c1C(=O)O | 171 |
C=C[C@@H]1C[C@]1(N)C(=O)NS(=O)(=O)c1cccc2cc[nH]c12.CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CC(=O)O)CC1CCCC1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O>>C=C[C@@H]1C[C@]1(NC(=O)CN(CC1CCCC1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)NS(=O)(=O)c1cccc2cc[nH]c12 | 133 |
BrCc1ccccc1.CCCCc1nc(OC)[nH]c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1.CCOC(C)=O.CN(C)C=O.O=C([O-])[O-]~[Cs+]~[Cs+]>>CCCCc1nc(OC)n(Cc2ccccc2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1 | 389 |
CCN(C(C)C)C(C)C.COc1ccc(S(C)(c2ccc(OC)cc2)c2ccc(-c3cc(N)ccc3C)cc2)cc1.ClC(Cl)Cl.O=C(O)C1(c2ccc3c(c2)OCO3)CC1>>COc1ccc(S(C)(c2ccc(OC)cc2)c2ccc(-c3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3C)cc2)cc1 | 365 |
CC(=O)O.CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C.Cc1c(-c2cnc3[nH]cc([C@H](C)c4c(OC(F)F)ccc(F)c4Cl)c3c2)cnn1C1CCNCC1.ClCCl.F[B-](F)(F)F>>CC(=O)N1CCC(n2ncc(-c3cnc4[nH]cc([C@H](C)c5c(OC(F)F)ccc(F)c5Cl)c4c3)c2C)CC1 | 146 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CCNCC.COC(=O)c1c(NS(=O)(=O)c2ccc(F)cc2CC(C)(C)C=O)ccc2c1OC[C@@H]1C[C@H]21.ClCCl>>CCN(CC)CC(C)(C)Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)OC)OC[C@@H]1C[C@H]21 | 484 |
CC#N.CC(C)(C)OC(=O)NCCBr.CCN(CC)CC.CCOC(C)=O.O=C(OCc1cc(Cl)cc(Cl)c1)N1CCNCC1.O=C([O-])[O-]~[K+]~[K+]>>CC(C)(C)OC(=O)NCCN1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 | 73 |
C#CCCn1cc2c(Cl)cccc2n1.FCc1cccc(Br)n1>>FCc1cccc(C#CCCn2cc3c(Cl)cccc3n2)n1 | 777 |
C1CCOC1.CC(C)(C)OC(=O)N1CCC(CN=[N+]=[N-])(C2CCCCC2)CC1.CCOC(C)=O.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CC(C)(C)OC(=O)N1CCC(CN)(C2CCCCC2)CC1 | 89 |
CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CCc1nc2ccccc2[nH]1.CN(C)C=O.Cn1c(C=C2CN(C(=O)OC(C)(C)C)C2)nc2c(N3CCOCC3)nc(Cl)nc21.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>>CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(C=C3CN(C(=O)OC(C)(C)C)C3)n(C)c2n1 | 916 |
C1COCCO1.CCOC(=O)CCCOc1cccc(C)c1C.Cl.[Li+].[OH-]>>Cc1cccc(OCCCC(=O)O)c1C | 7 |
C1CCOC1.CC(C)C[Al+]CC(C)C.CCOC(=O)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)c1F.Cc1ccccc1.Cl.[H-]>>O=S(=O)(c1ccccc1)n1c(-c2ccccc2)cc(CO)c1F | 383 |
CC#N.Cc1ccc2c(c1)NC(=O)C2.O=C1CCC(=O)N1Br>>Cc1cc2c(cc1Br)CC(=O)N2 | 4 |
CCCNCCC.N#Cc1cccc2c1CC(=O)CC2.[BH4-].[Na+]>>CCCN(CCC)C1CCc2cccc(C#N)c2C1 | 187 |
C1CCOC1.COC(=O)c1cc(Br)cc(CN(C)C)c1.O.O.[Li+].[OH-]>>CN(C)Cc1cc(Br)cc(C(=O)O)c1 | 247 |
CCN(CC)CC.CN1CC[NH+](C)C1Cl.COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)O)c2)=C(C)C1=O.ClCCl.Nc1cccc([N+](=O)[O-])c1.[Cl-]>>COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)=C(C)C1=O | 50 |
CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(F)cc2)CC1.CN(C)C=O.FC(F)(F)c1cc(Br)cc(CBr)c1.O.[H-].[Na+]>>CC(C)(C)OC(=O)N1CCC(COCc2cc(Br)cc(C(F)(F)F)c2)(c2ccc(F)cc2)CC1 | 464 |
C=O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1CNC[C@H]1COC(=O)CCCCCCC/C=C\C/C=C\CCCCC.CO.ClCCCl.O=C([O-])O.[Na+].[Na+]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H]1CN(C)C[C@H]1COC(=O)CCCCCCC/C=C\C/C=C\CCCCC | 217 |
C1COCCO1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.COC(=O)c1cccc2ccn(CCC=O)c12.Cl.Cl.N[C@H]1CN2CCC1CC2.[H-].[Na+].[Na+]>>COC(=O)c1cccc2ccn(CCCN[C@H]3CN4CCC3CC4)c12 | 426 |
CCOC(=O)C1CCCN(C(=O)c2ccsc2)C1.CCOC(=O)C1CCCNC1.O=C(O)C=Cc1cccs1>>CCOC(=O)C1CCCN(C(=O)C=Cc2cccs2)C1 | 517 |
CC(C)CO.CCN=C=NCCCN(C)C~Cl.CN(C)c1ccncc1.COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)O)CC3)nc12.ClCCl>>COc1ccc(-c2ccc3c(c2)COC3=O)n2nc(C3(C(=O)OCC(C)C)CC3)nc12 | 17 |
CCCS(=O)(=O)Cl.CCN(CC)CC.CCOC(C)=O.CCOCC.ClCCl.Cn1c(C#N)ccc1-c1ccc(N)cc1>>CCCS(=O)(=O)Nc1ccc(-c2ccc(C#N)n2C)cc1 | 194 |
CCC(=O)Cl.COc1ccc(-c2ccnc3c(C(=O)N[C@H]4CC[C@@H](N)CC4)c(C)[nH]c23)c(OCC2CC2)c1~Cl>>CCC(=O)N[C@H]1CC[C@@H](NC(=O)c2c(C)[nH]c3c(-c4ccc(OC)cc4OCC4CC4)ccnc23)CC1 | 45 |
CC(C)(C)OC(=O)N1CCNCC1.CCN(CC)CC.CN(C)C=O.ClCCl.O=C(Cl)C(=O)Cl.O=C(O)/C=C/CBr>>CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/CBr)CC1 | 870 |
C1CCOC1.C1COCCN1.CCc1cccc(C)c1CNc1cc(C(=O)O)cc2c1nc(C)n2C.CN(C)C=O.O.O=C([O-])O.[Na+]>>CCc1cccc(C)c1CNc1cc(C(=O)N2CCOCC2)cc2c1nc(C)n2C | 44 |
CCCI.CS(=O)(=O)c1cc(N2CCNCC2)ccc1Cl>>CCCN1CCN(c2ccc(Cl)c(S(C)(=O)=O)c2)CC1 | 184 |
O=C(O)c1cccc(Br)n1.OB(O)c1cc(Cl)cc(Cl)c1>>O=C(O)c1cccc(-c2cc(Cl)cc(Cl)c2)n1 | 869 |
CO.COC(=O)C1CC(C(=O)OC(C)(C)C)N(C(=O)CNC(=O)Nc2cccc(C)c2)C1c1ccccc1.O.[K+].[OH-]>>Cc1cccc(NC(=O)NCC(=O)N2C(C(=O)OC(C)(C)C)CC(C(=O)O)C2c2ccccc2)c1 | 88 |
CCn1ncc2c(NCC3CCCCC3)c3cc(O)ccc3nc21.CS(C)=O.Cl~ClCCN1CCOCC1.[K+]~[OH-]>>CCn1ncc2c(NCC3CCCCC3)c3cc(OCCN4CCOCC4)ccc3nc21 | 74 |