smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
FC=1C=C2C(C(NC2=CC1)=O)=C1OCC2=CC(=CC=C12)CCCOC(=O)C12CC3(CC(CC(C1)C3)C2)[N+](=O)[O-]>[Zn].C(C)(=O)O>FC=1C=C2C(C(NC2=CC1)=O)=C1OCC2=CC(=CC=C12)CCCOC(=O)C12CC3(CC(CC(C1)C3)C2)N | 3 |
C(OC([N:11]1[CH2:20][CH2:19][C:18]2[C:13](=[CH:14][C:15]([O:21][CH2:22][C:23]3([C:36]([O:38][CH2:39][CH3:40])=[O:37])[CH2:28][CH2:27][N:26]([C:29]4[CH:34]=[CH:33][N:32]=[C:31](Cl)[N:30]=4)[CH2:25][CH2:24]3)=[CH:16][CH:17]=2)[CH2:12]1)=O)C1C=CC=CC=1.C([O-])=O.[NH4+]>C(O)C.[C].[Pd]>[CH2:39]([O:38][C:36]([C:23]1([CH2:22][... | 1 |
BrC1=CC=C2C3=C(N(C2=C1)C1C(NC(CC1)=O)=O)N=CC=C3.C(C#C)OCCOCCNC(OC(C)(C)C)=O>[Cu]I.N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].C(=O)([O-])[O-].[Cs+].[Cs+]>O=C1NC(CCC1N1C2=C(C3=CC=C(C=C13)C#CCOCCOCCNC(OC(C)(C)C)=O)C=CC=N2)=O | 3 |
[F:1][C:2]([F:26])([F:25])[C:3]1[N:8]2[N:9]=[CH:10][C:11]([C:12](O)=O)=[C:7]2[N:6]=[C:5]([C:15]2[CH:20]=[CH:19][C:18]([C:21]([F:24])([F:23])[F:22])=[CH:17][CH:16]=2)[CH:4]=1.[OH:27][NH:28][C:29](=[NH:40])[C:30]1[CH:35]=[CH:34][C:33]([S:36](=[O:39])(=[O:38])[NH2:37])=[CH:32][CH:31]=1>>[F:26][C:2]([F:1])([F:25])[C:3]1[N:... | 1 |
ClC=1C=C(C=CC1Cl)CN1N=CC(=C1)C(=O)OCC>CCO[H].[OH-].[Na+]>ClC=1C=C(C=CC1Cl)CN1N=CC(=C1)C(=O)O | 3 |
C1(=CC=CC=C1)C=1N=C(SC1)C1CCN(CC1)C(=O)OC(C)(C)C>>Cl.Cl.C1(=CC=CC=C1)C=1N=C(SC1)C1CCNCC1 | 5 |
BrC=1C=C(C#N)C=C(C1)C=O.C(C)S(=O)(=O)N1CCC(CC1)C1=CNC2=C(C=C(C=C12)B1OC(C(O1)(C)C)(C)C)C(=O)N>>C(#N)C=1C=C(C=C(C1)C=O)C=1C=C2C(=CNC2=C(C1)C(=O)N)C1CCN(CC1)S(=O)(=O)CC | 5 |
[CH2:1]([O:3][C:4](=[O:28])[NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([C:12]([C:14]2[C:19](=[O:20])[CH:18]=[CH:17][N:16]([C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=3)[N:15]=2)=[O:13])[CH:7]=1)[CH3:2].[BH4-].[Na+].Cl>CO>[CH2:1]([O:3][C:4](=[O:28])[NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([CH:12]([C:14]2[C:19](=[O:2... | 2 |
Cl[C:2]1[C:3]([Cl:8])=[N:4][CH:5]=[CH:6][N:7]=1.[C:9]1(B(O)O)[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.C([O-])([O-])=O.[Na+].[Na+].C(Cl)Cl>COCCOC.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[Cl:8][C:3]1[CH:2]=[N:7][CH:6]=[C:5]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]... | 2 |
ClC1=C(C(=NC=C1)N[C@H](CC)COC)[N+](=O)[O-]>C(C)OCC.Cl.O.O.[Sn](Cl)Cl>ClC1=C(C(=NC=C1)N[C@H](CC)COC)N | 3 |
C(C)(C)(C)C1=C(N=C(S1)NC(OC(C)(C)C)=O)Cl>ClCCl.C(=O)(C(F)(F)F)O>C(C)(C)(C)C1=C(N=C(S1)N)Cl | 3 |
Cl[CH2:2][CH2:3][CH2:4][S:5]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][N:16]2[C:20]([CH3:21])=[C:19]([C:22]3[CH:27]=[CH:26][C:25]([C:28]#[N:29])=[C:24]([Cl:30])[CH:23]=3)[C:18]([CH3:31])=[N:17]2)=[CH:11][CH:10]=1)(=[O:7])=[O:6].[H-].[Na+].[Cl-].[NH4+]>CN(C=O)C>[Cl:30][C:24]1[CH:23]=[C:22]([C:19]2[C:18]([CH3:31])=[N:17... | 2 |
Cl.NC(C(=O)OC)CO.FC(C(=O)O)C>>FC(C(=O)NC(C(=O)OC)CO)C | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC1=CC=C(CN2C(C=3C=CC(=CC3C3C2C3)[N+](=O)[O-])=O)C=C1>C1CCCO1.C1(=CC=NC=C1)N(C)C>[N+](=O)([O-])C1=CC=2C3C(N(C(C2C=C1)=O)C(=O)OC(C)(C)C)C3 | 3 |
CI.C(C)(C)(C)[SiH2]OC(C1CC(N(C1)C1CCCCCC1)=O)(C)C>>C(C)(C)(C)[SiH2]OC(C1C(C(N(C1)C1CCCCCC1)=O)C)(C)C | 5 |
[C:1](#[N:4])[CH:2]=[CH2:3].[CH2:5]([CH2:12][NH2:13])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1>C(O)C>[CH2:5]([CH2:12][NH:13][CH2:3][CH2:2][C:1]#[N:4])[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1 | 1 |
OC1=CC=C(C=O)C=C1.BrCCC(=O)Cl>>ClCCCOC1=CC=C(C=O)C=C1 | 5 |
C1COCCN1.ClC=1C=NC=CC1>C1(=CC=CC=C1)C.CC(C)(C)[O-].[Na+]>N1=CC(=CC=C1)N1CCOCC1 | 3 |
CC(C)[C@@H:3]([N:8]1[CH2:16][C:15]2[C:10](=[CH:11][CH:12]=[C:13]([C:17]3[CH:22]=[CH:21][C:20]([NH:23][C:24]([NH:26][C:27]4[CH:32]=[CH:31][CH:30]=[C:29]([C:33]([F:36])([F:35])[F:34])[CH:28]=4)=[O:25])=[CH:19][CH:18]=3)[CH:14]=2)[C:9]1=[O:37])[C:4]([O:6][CH3:7])=[O:5].BrC1C=C2C(=CC=1)C(=O)N(CC(OC)=O)C2.CC1(C)C(C)(C)OB(C2... | 1 |
SC(CCCCC(=O)O)CCS>ClCCl.CCN(CC)CC.C(C)(=O)Cl>C(C)(=O)SCCC(CCCCC(=O)O)S | 3 |
ClC1=C2C=C(N(C2=CC=C1F)C)C(=O)OCC>O.C1CCCO1.[OH-].[Li+]>ClC1=C2C=C(N(C2=CC=C1F)C)C(=O)O | 3 |
[N+](=O)([O-])C.CC1=NN(C(=C1C=O)C)S(=O)(=O)C1=CC=C(C=C1)C.Cl.NCC(CC(=O)OCC)C1=C(C(=CC(=C1)F)F)F.FC1=C(C=C(C=C1F)F)C=CC(=O)OCC>ClCCl.CCN(CC)CC.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>CC1=NN(C(=C1CN1C(CC(C1)C1=C(C(=CC(=C1)F)F)F)=O)C)S(=O)(=O)C1=CC=C(C=C1)C | 3 |
COC(=O)C(C)(C)C1=CC=C(C(=O)O)C=C1.C1COC=2C=CC=3N(C21)C=C(N3)N>N(C)(C)C=O.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl>C1COC=2C=CC=3N(C21)C=C(N3)NC(=O)C3=CC=C(C=C3)C(C(=O)OC)(C)C | 3 |
[N+:1]([C:4]1[CH:17]=[CH:16][C:7]([O:8][C:9]2[CH:15]=[CH:14][C:12]([NH2:13])=[CH:11][CH:10]=2)=[CH:6][CH:5]=1)([O-:3])=[O:2].[C:18]([S-:20])#[N:19].[K+].BrBr.[NH4+].[OH-]>CC(O)=O.O>[N+:1]([C:4]1[CH:17]=[CH:16][C:7]([O:8][C:9]2[CH:15]=[CH:14][C:12]3[N:13]=[C:18]([NH2:19])[S:20][C:11]=3[CH:10]=2)=[CH:6][CH:5]=1)([O-:3])=... | 1 |
C(C)(C)(C)N1N=CC(=C1C1=CC=C(C=C1)OC)C=1SC=C(N1)/C=C/C(=O)OCC>C1CCCO1.CO[H].[OH-].[Na+]>C(C)(C)(C)N1N=CC(=C1C1=CC=C(C=C1)OC)C=1SC=C(N1)/C=C/C(=O)O | 3 |
C(=CC(O[H])=O)(C)C>O.C(C)(=O)O.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C(CC(=O)O)(C)C | 3 |
CCOP(O)OCC.BrC1=CC=C(C=C1)Br>>BrC1=CC=C(C=C1)P(OCC)(OCC)=O | 5 |
ClC(C(=O)O)(Cl)Cl.BrC1[C@]2(O[C@@H]3[C@H]([C@@H]2C)[C@]2([C@H]4[C@@H]([C@@H]5[C@]6(CC[C@@H](C[C@@H]6CC[C@H]5[C@@H]2C3)O)C)O4)C)OC[C@@H](C1)C>C1(=CC=CC=C1)C>BrC1[C@]2(O[C@@H]3[C@H]([C@@H]2C)[C@]2([C@H]([C@@H]([C@@H]4[C@]5(CC[C@@H](C[C@@H]5CC[C@H]4[C@@H]2C3)O)C)O)OC(C(Cl)(Cl)Cl)=O)C)OC[C@@H](C1)C | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:25])=[C:6]2[C:11]=1[NH:10][C:9](=[O:12])[C:8]([CH2:13][C:14]1[CH:19]=[CH:18][C:17]([S:20]([CH3:23])(=[O:22])=[O:21])=[CH:16][CH:15]=1)=[C:7]2[CH3:24].CN(C)C=O.C(=O)([O-])[O-].[K+].[K+].[CH3:37][O:38][C:39](=[O:42])[CH2:40]Br>O.C(O)(=O)C>[CH3:37][O:38][C:39](=[O:42])[CH2:40][O:25][C:5]... | 1 |
C(OC(=O)[NH:10][C@@H:11]1[CH2:16][CH2:15][C@@H:14]([NH:17][C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[C@@H:13]([O:25][CH3:26])[CH2:12]1)C1C=CC=CC=1>CO.[Pd]>[C:21]([O:20][C:18](=[O:19])[NH:17][C@@H:14]1[CH2:15][CH2:16][C@@H:11]([NH2:10])[CH2:12][C@@H:13]1[O:25][CH3:26])([CH3:24])([CH3:23])[CH3:22] | 2 |
NC1=C(C=CC=C1)S.C(CCCCCCC)C1(C2=CC(=CC=C2C2=CC=3C(C=4C=C(C=CC4C3C=C21)C=O)(CCCCCCCC)CCCCCCCC)C=O)CCCCCCCC>O.CN1C(CCC1)=O.[O]>C(CCCCCCC)C1(C2=CC(=CC=C2C2=CC=3C(C=4C=C(C=CC4C3C=C21)C=2SC1=C(N2)C=CC=C1)(CCCCCCCC)CCCCCCCC)C=1SC2=C(N1)C=CC=C2)CCCCCCCC | 3 |
FC1=CC=C(C=C1)N1C(C(C2=CC=C(C=C12)OC)(NC(=O)C=1N=CC2=CC=CC=C2C1)CCC(=O)OC)=O>CCO[H].[OH-].[Na+]>FC1=CC=C(C=C1)N1C(C(C2=CC=C(C=C12)OC)(NC(=O)C=1N=CC2=CC=CC=C2C1)CCC(=O)[O-])=O.[Na+] | 3 |
ClC1=C(C(=NC=N1)NC1=CC=C(C=C1)S(=O)(=O)C)[N+](=O)[O-].C(C)(C)(C)OC(=O)N1CC(CC1)CO>[H-].[Na+].CN(C(C)=O)C>C(C)(C)(C)OC(=O)N1CC(CC1)COC1=NC=NC(=C1[N+](=O)[O-])NC1=CC=C(C=C1)S(=O)(=O)C | 3 |
[CH3:1][C:2]1[C:3]([C:7]([O:9]C)=O)=[N:4][S:5][CH:6]=1.O.[NH2:12][NH2:13]>CO>[CH3:1][C:2]1[C:3]([C:7]([NH:12][NH2:13])=[O:9])=[N:4][S:5][CH:6]=1 | 1 |
[CH3:1][O:2][C:3](=[O:23])[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH3:11])=[C:6]([NH:12][C:13](=[NH:22])[C:14]2[CH:19]=[CH:18][C:17]([F:20])=[CH:16][C:15]=2[F:21])[CH:5]=1.[O-]Cl.[Na+]>CO>[CH3:1][O:2][C:3]([C:4]1[C:5]2[N:22]=[C:13]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[CH:16][C:15]=3[F:21])[NH:12][C:6]=2[C:7]([O:10][CH3:11])=[... | 1 |
C(C)(C)(C)OC(=O)N1CC=2C=C(C=NC2CC1)[N+](=O)[O-]>>[N+](=O)([O-])C=1C=NC=2CCNCC2C1 | 5 |
FC=1C=C(C(=O)O)C=CC1NC1=NC=NC(=C1F)N1CCC(CC1)C1=NC(=NO1)C(C)(C)F>>FC=1C=C(C(=O)N)C=CC1NC1=NC=NC(=C1F)N1CCC(CC1)C1=NC(=NO1)C(C)(C)F | 5 |
N1N=CN=C1.CS(=O)(=O)OCC1(OC1C1=C(SC(=C1)Cl)Cl)C1=CC=C(C=C1)F>>ClC=1SC(=CC1C1C(O1)(C1=CC=C(C=C1)F)CN1N=CN=C1)Cl | 5 |
C1(=CC=CC=C1)C(CC(=O)O)C>>C1(=CC=CC=C1)C(CC(C)=O)C | 5 |
[CH3:1][N:2]([CH3:13])[C:3]1[CH:8]=[C:7]([CH3:9])[C:6]([N+:10]([O-])=O)=[CH:5][N:4]=1>C(O)C.[Pd]>[CH3:13][N:2]([CH3:1])[C:3]1[CH:8]=[C:7]([CH3:9])[C:6]([NH2:10])=[CH:5][N:4]=1 | 1 |
C(#N)C1=CC=C(O1)C(=O)Cl.CNC1=CC(=C(C=C1)NC)N1CCCCC1>>CN(C1=CC(=C(C=C1)NC(=O)C=1OC(=CC1)C#N)N1CCCCC1)C | 5 |
COC1=CC=C(C=C1)C1CC(NC1)=O>O.S(O)(O)(=O)=O.II.C(C)(=O)O.I(=O)(=O)O>IC=1C=C(C=CC1OC)C1CC(NC1)=O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[C:10]([C:23]#[N:24])=[C:11]([C:16]2[CH:21]=[CH:20][N:19]=[C:18]([F:22])[CH:17]=2)[S:12][C:13]=1[CH:14]=O.CO.[C:27](=O)([O-])[O-].[K+].[K+].[N+](=C(P(=O)(OC)OC)C(=O)C)=[N-]>>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[C:10]([C:23]#[N:24])=[C:11]([... | 1 |
[CH2:1]([N:3]([CH2:7][CH2:8][CH2:9][CH2:10][O:11][C:12]1[CH:30]=[CH:29][C:15]2[C:16]([C:19]3[CH:24]=[CH:23][C:22]([C:25]([F:28])([F:27])[F:26])=[CH:21][CH:20]=3)=[N:17][S:18][C:14]=2[CH:13]=1)[CH2:4][CH2:5]O)[CH3:2].CCN(S(F)(F)[F:37])CC.C([O-])([O-])=O.[Na+].[Na+]>C(Cl)Cl>[CH2:1]([N:3]([CH2:4][CH2:5][F:37])[CH2:7][CH2:... | 1 |
Cl[C:2]1[CH:3]=[C:4]([CH:18]([F:20])[F:19])[C:5]([N:8]2[CH2:13][CH2:12][CH:11]([C:14]([OH:17])([CH3:16])[CH3:15])[CH2:10][CH2:9]2)=[N:6][CH:7]=1.[B:21]1(B2OC(C)(C)C(C)(C)O2)[O:25]C(C)(C)C(C)(C)[O:22]1.C([O-])(=O)C.[K+].COC1C=CC=C(OC)C=1C1C=CC=CC=1P(C1CCCCC1)C1CCCCC1>O1CCOCC1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=... | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]#[C:9][Si](C)(C)C)=[C:4]([F:14])[CH:3]=1.CCCC[N+](CCCC)(CCCC)CCCC.[F-]>C(Cl)Cl>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]#[CH:9])=[C:4]([F:14])[CH:3]=1 | 1 |
[N:1](OCCC(C)C)=[O:2].[Cl:9][C:10]1[CH:19]=[CH:18][CH:17]=[C:16]2[C:11]=1[CH:12]=[CH:13][N:14]1[CH:22]=[C:21]([CH3:23])[N:20]=[C:15]12>O1CCOCC1>[Cl:9][C:10]1[CH:19]=[CH:18][CH:17]=[C:16]2[C:11]=1[CH:12]=[CH:13][N:14]1[C:22]([N:1]=[O:2])=[C:21]([CH3:23])[N:20]=[C:15]12 | 1 |
C(C=C)(=O)OCC.BrC1=NC(=CC=C1)CO>>OCC1=CC=CC(=N1)/C=C/C(=O)OCC | 5 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[F:29])[O:9][C:10]1[CH:19]=[CH:18][C:17]([N+:20]([O-])=O)=[CH:16][C:11]=1[C:12]([O:14][CH3:15])=[O:13]>[C].[Ir]>[NH2:20][C:17]1[CH:18]=[CH:19][C:10]([O:9][CH:8]([C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=2[F:1])[C:23]2[CH:28]=[CH... | 2 |
[NH:1]([C:21]([O:23]C(C)(C)C)=O)[C@H:2]([C:7]([NH:9][C@H:10]([C:18]([OH:20])=[O:19])[CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[O:8])[CH2:3][CH:4]([CH3:6])[CH3:5].Cl.C1COCC1.[NH:34]([C:108]([O:110][C:111]([CH3:114])([CH3:113])[CH3:112])=[O:109])[C@H:35]([C:45]([NH:47][C@H:48]([C:54]([NH:56][C@H:57]([C:68](... | 1 |
[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[CH:8]=[C:9]([OH:16])[CH:10]=[C:11]([N+:13]([O-:15])=[O:14])[CH:12]=2)[CH:4]=[N:3]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.O[CH2:37][C@H:38]([NH:40][C:41](=[O:47])[O:42][C:43]([CH3:46])([CH3:45])[CH3:44])[CH3:39].N(C(OCC)=O)=NC(OCC)=O>O1CCCC1>[CH3:1][N:2]1[CH:6]=[C:5]([C:7]2[CH:8]=[C:9](... | 2 |
C(CCC)[Sn](C=1SC=CC1)(CCCC)CCCC.BrC=1N=C(N(C1)C)C=O>>CN1C(=NC(=C1)C=1SC=CC1)C=O | 5 |
C1(=CC=CC=C1)C1=C(OC2=CC=CC=C2C1=O)CCC>BrN1C(CCC1=O)=O.C(Cl)(Cl)(Cl)Cl.CC(C)(C#N)/N=N/C(C)(C)C#N>BrC(CC)C=1OC2=CC=CC=C2C(C1C1=CC=CC=C1)=O | 3 |
C1(=CC=CC=C1)C(C1=CC=CC=C1)C1=CC=CC=C1.BrCCCCCCCCCCO.CC1(C(CC2(CC1)OCCO2)S(=O)(=O)C2=CC=CC=C2)C>C1CCCO1.C(CCC)[Li]>CC1(C(CC2(CC1)OCCO2)(S(=O)(=O)C2=CC=CC=C2)CCCCCCCCCCO)C | 3 |
N#N.[C:3]([O:7][C:8](=[O:20])[NH:9][C@H:10]([C:12]1[CH:17]=[C:16]([CH3:18])[C:15](Br)=[CH:14][N:13]=1)[CH3:11])([CH3:6])([CH3:5])[CH3:4].[F:21][C:22]([F:33])([F:32])[C:23]1[CH:28]=[C:27](B(O)O)[CH:26]=[CH:25][N:24]=1.C([O-])([O-])=O.[Na+].[Na+]>O1CCOCC1.CCOC(C)=O>[C:3]([O:7][C:8](=[O:20])[NH:9][C@H:10]([C:12]1[N:13]=[C... | 1 |
[NH2:1][C:2]1[C:7]2[N:8]=[C:9]([CH2:11][N:12]3[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13]3)[O:10][C:6]=2[CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.[CH3:32][C:33]1[CH:38]=[CH:37][C:36]([N:39]=[C:40]=[O:41])=[CH:35][N:34]=1>C(Cl)Cl>[CH3:32][C:33]1[N:34]=[CH:35][C:36]([NH:39][C:4... | 1 |
Cl.NCC(=O)N.CN1C(=NC2=C(C1=O)C(=C(O2)C2=CC=C(C=C2)C2(CCC2)NC(OC(C)(C)C)=O)C2=CC=CC=C2)S(=O)(=O)C>>NC(CNC=1N(C(C2=C(N1)OC(=C2C2=CC=CC=C2)C2=CC=C(C=C2)C2(CCC2)NC(OC(C)(C)C)=O)=O)C)=O | 5 |
O[C@H]1C[C@H](CCC1)N1C(C2=CC=CC=C2C1=O)=O>>Cl.N[C@H]1C[C@H](CCC1)O | 5 |
C[O:2][C:3]([C:5]1[N:24]=[C:8]2[CH2:9][N:10]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=3[Cl:23])[C:11]3[N:16]=[CH:15][CH:14]=[CH:13][C:12]=3[N:7]2[N:6]=1)=O.[BH4-].[Na+]>>[Cl:23][C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=1[N:10]1[C:11]2[N:16]=[CH:15][CH:14]=[CH:13][C:12]=2[N:7]2[N:6]=[C:5]([CH2:3][OH:2])[N:24]=[C:8]... | 1 |
C(C)(C)(C)OC(=O)NCC1CCN(CC1)CCCOC1=C(C=C2C(=NC=NC2=C1)NC(=O)NC1=C(C=CC=C1Cl)Cl)OC>>NCC1CCN(CC1)CCCOC1=C(C=C2C(=NC=NC2=C1)NC(=O)NC1=C(C=CC=C1Cl)Cl)OC | 5 |
Cl.ClCCN1CCOCC1.ClC=1N=C(C2=C(N1)C(=C(S2)C=2C=C(C=CC2)O)C)N2CCOCC2>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC=1N=C(C2=C(N1)C(=C(S2)C2=CC(=CC=C2)OCCN2CCOCC2)C)N2CCOCC2 | 3 |
N([C@H](CC1=CC=C(C=C1)Cl)C(=O)O)C(=O)OC(C)(C)C.Cl.Cl.BrC=1C=C2C(=NC=NC2=CC1)N1CCNCC1>>C(C)(C)(C)OC(NC(C(=O)N1CCN(CC1)C1=NC=NC2=CC=C(C=C12)Br)CC1=CC=C(C=C1)Cl)=O | 5 |
[Br-].C[Mg+].BrC1=C(C=C(C=O)C=C1)F>C1CCCO1.[Cl-].[NH4+]>BrC1=C(C=C(C=C1)C(C)O)F | 3 |
C(C)N.BrC1=CC(=NC=C1OC)C(C(F)(F)F)(O)O>C1(=CC=CC=C1)C.C1CCCO1.CO[H].[OH-].[Na+].[HH].[Ti](Cl)(Cl)(Cl)Cl.C(#N)[BH3-].[Na+]>BrC1=CC(=NC=C1OC)C(C(F)(F)F)NCC | 3 |
NC1=CC=CC=C1.CN(C(=O)Cl)C(=O)N(C)C>C1CCCO1>CN(C(=O)N(C(=O)NC1=CC=CC=C1)C)C | 3 |
[NH:1]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[C@@H:2]([C:10]([OH:12])=O)[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[NH:20]1[CH2:34][CH2:33][CH2:32][C@H:21]1[C:22]([O:24][CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)=[O:23].Cl.C1C=CC2N(O)N=NC=2C=1.C(N(CC)C(C)C)(C)C.CN(C)CCCN=C=NCC.Cl>ClCC... | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=C(C1=CC=CC=C1)Br.C[Sn](C=1C=NC=C(C1)CCC(=O)O)(C)C>C1CCCO1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2]>C(C)(C)(C)OC(=O)N1CCC(CC1)=C(C=1C=NC=C(C1)CCC(=O)O)C1=CC=CC=C1 | 3 |
FC(C=1C=CC=C2C=CC=C(C12)O)(F)F>ClCCl.C(C)(=O)OCC.CCCCCC.C(C)(C)N(C(C)C)CC.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC(S(=O)(=O)OC1=CC=CC2=CC=CC(=C12)C(F)(F)F)(F)F | 3 |
BrC=1C=CC2=C([Si](C3=C2C=CC=C3)(C)C)C1>C1CCCO1.N.[Cu]>C[Si]1(C2=C(C3=C1C=CC=C3)C=CC(=C2)N)C | 3 |
[O:1]1[CH2:5][CH2:4][O:3][CH:2]1[C:6]1[CH:11]=[CH:10][CH:9]=[C:8](F)[N:7]=1.[CH3:13][NH:14][CH3:15].C(O)C>>[O:1]1[CH2:5][CH2:4][O:3][CH:2]1[C:6]1[N:7]=[C:8]([N:14]([CH3:15])[CH3:13])[CH:9]=[CH:10][CH:11]=1 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)O.ClC1=C2C(NC=N1)=NC=C2>C1(=CC=CC=C1)C.O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>C(C)(C)(C)OC(=O)N1CCC(CC1)N1C=CC2=C1N=CN=C2Cl | 3 |
C[O:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][CH2:11][CH:12]2[CH2:16][N:15]([CH2:17][C:18]3[CH:23]=[CH:22][C:21]([C:24]([F:27])([F:26])[F:25])=[CH:20][CH:19]=3)[C:14](=[O:28])[N:13]2[CH3:29])=[CH:5][CH:4]=1.B(Br)(Br)Br>C(Cl)Cl.O>[OH:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][CH2:11][CH:12]2[CH2:16][N:15]([CH2:17][C:18... | 1 |
Cl.CNOC.CS(=O)(=O)N1CC(C1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CON(C(=O)C1CN(C1)S(=O)(=O)C)C | 3 |
COC(C1=CC(=C(C=C1)Br)C)=O>C1CCCO1.[BH4-].[Li+]>BrC1=C(C=C(CO)C=C1)C | 3 |
C1(CCCC1)=O.NCC1(CCCC1)C(=O)OC>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>COC(=O)C1(CCCC1)CNC1CCCC1 | 3 |
CN.FC1=CC(=C(C=C1)N1C=C(C=2C1=CN=CC2)C2CCN(CC2)CCC=2C=C(C(=O)O)C=CC2)C(N(C)C(C)C)=O>N(C)(C)C=O.C1CCCO1.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC=1C=CC(=C(C(=O)N(C)C(C)C)C1)N1C=C(C=2C1=CN=CC2)C2CCN(CC2)CCC2=CC(=CC=C2)C(NC)=O | 3 |
C(C=C)I.CN1N=NC(=C1)[C@H]1[C@@H](C1)C(CC(=O)OC)=O>CC#N.C1CCCO1.CC(C)(C)[O-].[Na+].[Cl-].[NH4+]>CN1N=NC(=C1)[C@H]1[C@@H](C1)C(=O)C(C(=O)OC)CC=C | 3 |
ClC1=C(C(OC2=CC=CC=C12)=O)[N+](=O)[O-]>CC#N.[I-].[Na+]>IC1=C(C(OC2=CC=CC=C12)=O)[N+](=O)[O-] | 3 |
[Cl-].O[NH3+:3].[C:4](=[O:7])([O-])[OH:5].[Na+].CS(C)=O.[CH3:13][C:14]1[N:45]=[C:17]2[N:18]([CH:41]([CH3:44])[CH2:42][CH3:43])[C:19](=[O:40])[C:20]([CH2:25][C:26]3[CH:31]=[CH:30][C:29]([C:32]4[C:33]([C:38]#[N:39])=[CH:34][CH:35]=[CH:36][CH:37]=4)=[CH:28][CH:27]=3)=[C:21]([CH2:22][CH2:23][CH3:24])[N:16]2[N:15]=1>C(OCC)(... | 1 |
FC1=C(C=CC(=C1)F)S(=O)(=O)NC=1C(=NC=C(C1)C=1C=CC=2N(N1)C=CN2)OC>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC1=CN=C2N1N=C(C=C2)C=2C=C(C(=NC2)OC)NS(=O)(=O)C2=C(C=C(C=C2)F)F | 3 |
C1(=CC=CC=C1)CN(C1=NC=2C=CC=CC2C2=C1N=C(N2)CCCCCl)CC2=CC=CC=C2>C([O-])([O-])=O.[K+].[K+].CC(=O)C.[I-].[Na+]>C1(=CC=CC=C1)CN(C=1C=CC=C2C3=C(C=NC12)N=C1N3CCCC1)CC1=CC=CC=C1 | 3 |
ClC1=CC(=C(C=C1)CC(=O)O)OC>C(C)(=O)O.Br>ClC1=CC(=C(C=C1)CC(=O)O)O | 3 |
C(C)(C)(C)OC(=O)N(NC(=O)C1[C@@H]2CC[C@](C1=O)(C2(C)C)C)CC2=CC=CC=C2>>C(C1=CC=CC=C1)N1NC(C=2[C@@H]3CC[C@](C12)(C3(C)C)C)=O | 5 |
C(C)(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)F>CC#N.c1ccncc1.FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>F[C@H]1CN(C[C@@H]1OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][N:3]=1.[C:9]([C:12]1[CH:17]=[CH:16][C:15](OB(O)O)=[CH:14][CH:13]=1)([OH:11])=[O:10]>>[CH3:8][C:5]1[CH:6]=[CH:7][C:2]([C:15]2[CH:16]=[CH:17][C:12]([C:9]([OH:11])=[O:10])=[CH:13][CH:14]=2)=[N:3][CH:4]=1 | 2 |
[C]=O.ClC1=CC=C2C(=N1)C(=NN2)C>O.CO[H].C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>COC(=O)C1=CC=C2C(=N1)C(=NN2)C | 3 |
CC1(C)OC(=O)[CH:5]([C:9]([C@@H:11]2[CH2:15][CH2:14][CH2:13][N:12]2[C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])=[O:10])[C:4](=O)[O:3]1>C1(C)C=CC=CC=1>[O:3]=[CH:4][CH2:5][C:9]([CH:11]1[CH2:15][CH2:14][CH2:13][N:12]1[C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])=[O:10] | 1 |
FC1=CC(=C(C=C1)C(C)N1C[C@@H](N(C[C@H]1C)C=1C=2C(N(C(N1)=O)C)=C(N(N2)C2OCCCC2)C)C)C(F)(F)F>CO[H].Cl>FC1=CC(=C(C=C1)C(C)N1C[C@@H](N(C[C@H]1C)C=1C=2C(N(C(N1)=O)C)=C(NN2)C)C)C(F)(F)F | 3 |
C(C#C)Br.N1(C=NC=2C=NC=3C=CC=CC3C21)CCO>>C(C#C)OCCN1C=NC=2C=NC=3C=CC=CC3C21 | 5 |
[F:1][C:2]1[CH:19]=[CH:18][C:5]([C:6]([C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[CH:10][C:9]=2[CH2:16][OH:17])=[O:7])=[CH:4][CH:3]=1.N#N.C(OC(B)OC(C)C)(C)C>C1(C)C=CC=CC=1>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH:6]([OH:7])[C:8]2[CH:15]=[CH:14][C:11]([C:12]#[N:13])=[CH:10][C:9]=2[CH2:16][OH:17])=[CH:18][CH:19]=1 | 1 |
Cl[Si](CCCCCCCC)(CCCCCCC)Cl.BrC=1C2=C(SC1C1=C(C3=C(S1)C(=CS3)CCCCCCCCCCCCC)Br)C(=CS2)CCCCCCCCCCCCC>>C(CCCCCCC)[Si]1(C2=C(SC=3C(=CSC23)CCCCCCCCCCCCC)C2=C1C=1SC=C(C1S2)CCCCCCCCCCCCC)CCCCCCCC | 5 |
CI.OC=1C=C(C=O)C=CC1[N+](=O)[O-]>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>NC1=C(C=C(C=C1)C=1C=C(C2=C(N1)NN=C2)C(=O)O)OC | 3 |
[CH3:1][O:2][C:3](=[O:22])[C@H:4]([OH:21])[CH2:5][NH:6][C:7]1[CH:8]=[C:9]2[C:13](=[CH:14][CH:15]=1)[N:12]([CH:16]([CH3:19])[CH2:17][F:18])[C:11](=[O:20])[CH2:10]2.[C:23](OCC)(=[O:25])C>C(#N)C>[CH3:1][O:2][C:3]([C@@H:4]1[O:21][C:23](=[O:25])[N:6]([C:7]2[CH:8]=[C:9]3[C:13](=[CH:14][CH:15]=2)[N:12]([CH:16]([CH3:19])[CH2:1... | 2 |
COC1=CC=C(C=C1)C1(CCCC1)C#N>O.C(C)OCC.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>COC1=CC=C(C=C1)C1(CCCC1)CN | 3 |
[O:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[CH:2]1.I[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.CC([O-])(C)C.[K+].CN(C=O)C>[Cu]I.C(OCC)(=O)C>[C:11]1([C:2]2[O:1][C:5]3[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=3[N:3]=2)[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 1 |
Cl[C:2]1[CH:7]=[C:6]([N:8]2[CH:12]=[C:11]([CH3:13])[N:10]=[CH:9]2)[N:5]=[CH:4][N:3]=1.[NH3:14]>C(O)(C)C>[CH3:13][C:11]1[N:10]=[CH:9][N:8]([C:6]2[N:5]=[CH:4][N:3]=[C:2]([NH2:14])[CH:7]=2)[CH:12]=1 | 1 |
S1C=CC=C1.CON(C(CC1=CC=C(C=C1)OC)=O)C>>COC1=CC=C(C=C1)CC(=O)C=1SC=CC1 | 5 |
NC1=NC(=CC(=N1)N1CCC2(C[C@H](N(C2)C(=O)OCC2=CC=CC=C2)C(=O)OCC)CC1)O[C@@H](C(F)(F)F)C1=C(C=C(C=C1)C1=CC(=C(C=C1)C)CO)N1N=C(C=C1)C>[HH].C(C)(=O)OCC.[Pd]>NC1=NC(=CC(=N1)N1CCC2(C[C@H](NC2)C(=O)OCC)CC1)O[C@@H](C(F)(F)F)C1=C(C=C(C=C1)C1=CC(=C(C=C1)C)CO)N1N=C(C=C1)C | 3 |
[CH2:1]([O:3][C:4]([C:6]1[C:17](=[O:18])[N:16]([CH:19]2[CH2:23][CH2:22][CH2:21][CH2:20]2)[C:9]2[N:10]=[C:11]([S:14][CH3:15])[N:12]=[CH:13][C:8]=2[CH:7]=1)=[O:5])[CH3:2].C1(S(N2C(C3C=CC=CC=3)O2)(=O)=[O:31])C=CC=CC=1>C(Cl)Cl>[CH2:1]([O:3][C:4]([C:6]1[C:17](=[O:18])[N:16]([CH:19]2[CH2:23][CH2:22][CH2:21][CH2:20]2)[C:9]2[N... | 1 |
[N:1]([CH2:4][C@@H:5]([C:14]1[CH:23]=[CH:22][C:21]([O:24]CC2C=CC=CC=2)=[C:20]2[C:15]=1[CH:16]=[CH:17][C:18](=[O:32])[NH:19]2)[O:6][Si](C(C)(C)C)(C)C)=[N+]=[N-].CC1CC=CCC=1.[ClH:40].O1CCOCC1>C(O)C.[Pd]>[ClH:40].[NH2:1][CH2:4][C@@H:5]([C:14]1[CH:23]=[CH:22][C:21]([OH:24])=[C:20]2[C:15]=1[CH:16]=[CH:17][C:18](=[O:32])[NH:... | 1 |
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