smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([O:5][C:6](=[O:34])[CH2:7][C@H:8]([O:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[C:17]1[CH:22]=[CH:21][C:20]([C:23]([O:25]CC2C=CC=CC=2)=[O:24])=[C:19]([F:33])[CH:18]=1)[CH3:9])([CH3:4])([CH3:3])[CH3:2]>[C].[Pd].C(O)C>[C:1]([O:5][C:6](=[O:34])[CH2:7][C@H:8]([O:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[... | 1 |
COC1=CC=2C3=C(NC2C=C1)C(CC3)CC(=O)OCC>>OC1=CC=2C3=C(NC2C=C1)C(CC3)CC(=O)OCC | 5 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([CH2:13][C:14]([O:16]CC)=[O:15])[N:11]=[C:10]3[C:19]4[CH:20]=[CH:21][CH:22]=[C:23]([NH:27][C:28]([NH:30][N:31]5[CH2:36][CH2:35][O:34][CH2:33][CH2:32]5)=[O:29])[C:24]=4[C:25](=[O:26])[C:9]=23)=[CH:4][CH:3]=1.O1CCOCC1.C(O)C.[OH-].[Na+]>CCOC(C)=O.CS(C)=O>[OH:1][C:2]1[CH:7]=[CH:6... | 1 |
[F:1][C:2]([F:16])([C:6]([F:15])([F:14])[C:7]([F:13])([F:12])[C:8]([F:11])([F:10])[F:9])[C:3]([OH:5])=O.C(OC#C)C.[NH2:22][C:23]1[CH:31]=[CH:30][C:26]([CH2:27][C:28]#[N:29])=[CH:25][CH:24]=1.Cl>C(OCC)(=O)C>[F:16][C:2]([F:1])([C:6]([F:15])([F:14])[C:7]([F:13])([F:12])[C:8]([F:11])([F:10])[F:9])[C:3]([NH:22][C:23]1[CH:31]... | 1 |
BrC=1C=C(C=CC1)C1(COC1)N1CCC(CC1)=O>CO[H].[Na+].[BH4-]>BrC=1C=C(C=CC1)C1(COC1)N1CCC(CC1)O | 3 |
[CH2:1]([N:3]1[C:7]([S:8][C:9]2[CH:10]=[C:11]([C:17]#[N:18])[CH:12]=[C:13]([CH:16]=2)[C:14]#[N:15])=[C:6]([CH2:19][CH3:20])[N:5]=[C:4]1[CH2:21]O)[CH3:2].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[C:42]1(=[O:52])[NH:46][C:45](=[O:47])[C:44]2=[CH:48][CH:49]=[CH:50][CH:51]=[C:43]12.N(C(OC(C)C)=O)=NC(OC(C)C)=O>O1CCCC1.C(OCC)(... | 2 |
C1(CC1)S(=O)(=O)Cl.COC1=NC=CC(=C1)C(C(CC)N)OC=1C=C2C=NN(C2=CC1)C1=NC=CC=C1>>COC1=NC=CC(=C1)C(C(CC)NS(=O)(=O)C1CC1)OC=1C=C2C=NN(C2=CC1)C1=NC=CC=C1 | 5 |
C(C)(C)(C)OC(NCCCC1(SC(=NN1)C1=CC(=CC=C1)F)C1=CC=CC=C1)=O.[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)O[C@H](C(=O)O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)O[C@H](C(=O)N1[C@@](SC(=N1)C1=CC(=CC=C1)F)(C1=CC=CC=C1)CCCNC(OC(C)... | 3 |
[F:1][CH:2]([F:12])[C:3]1[C:7]([C:8]([NH2:10])=[O:9])=[CH:6][N:5]([CH3:11])[N:4]=1.Br[C:14]1[CH:15]=[CH:16][CH:17]=[C:18]2[C:23]=1[C:22](=[CH2:24])[C:21]([CH3:26])([CH3:25])[CH2:20][CH2:19]2.C([O-])([O-])=O.[K+].[K+].O>CN(C=O)C.[Cu]I>[F:12][CH:2]([F:1])[C:3]1[C:7]([C:8]([NH:10][C:14]2[C:23]3[C:22](=[CH2:24])[C:21]([CH3... | 2 |
[C:1]1([NH:7][CH2:8][C:9]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[NH:12][C:11](=[O:19])[CH:10]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:20][C:21]1[N:22]=[CH:23][S:24][C:25]=1[C:26](O)=[O:27]>>[CH3:20][C:21]1[N:22]=[CH:23][S:24][C:25]=1[C:26]([N:7]([CH2:8][C:9]1[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[NH... | 2 |
C(CC(=O)OC)(=O)OC.CC1(C=2C=CC(=CC2C(CC1)(C)C)OCCOC1=CC=C(C=O)C=C1)C>C1(=CC=CC=C1)C.C(C)(=O)[O-].[NH2+]1CCCCC1>CC1(C=2C=CC(=CC2C(CC1)(C)C)OCCOC1=CC=C(C=C(C(=O)OC)C(=O)OC)C=C1)C | 3 |
[Cl:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][O:11][CH2:12][CH2:13][OH:14])[C:5]([C:15]([O:17][CH3:18])=[O:16])=[CH:4][N:3]=1.N1C=CN=C1.[CH3:24][C:25]([Si:28](Cl)([CH3:30])[CH3:29])([CH3:27])[CH3:26]>CN(C=O)C.O>[Cl:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][O:11][CH2:12][CH2:13][O:14][Si:28]([CH3:30])([CH3:29])[C:25]([C... | 2 |
C(C1CO1)OC1=C(C2=CC=CC=C2C=C1)C=NO.C(C)OC(=O)CCCCCOC1=C(C2=CC=CC=C2C=C1)C=NO>C(Cl)(Cl)(Cl)[H].CCN(CC)CC.ClN1C(CCC1=O)=O>C(C)OC(=O)CCCCCOC1=C(C2=CC=CC=C2C=C1)C#[N+][O-] | 3 |
C(C1=CC=CC=C1)Br.OC1=C(C(=O)OC)C=C(C(=C1)O)S(N(CCC)C)(=O)=O>>C(C1=CC=CC=C1)OC1=C(C(=O)OC)C=C(C(=C1)OCC1=CC=CC=C1)S(N(CCC)C)(=O)=O | 5 |
C(C)OC(C(CC1=CC=C(C=C1)OCCC=1N=C(OC1C)C=1C=C(C=CC1)C1=CC=C(C=C1)F)(OC1=CC=CC=C1)C)=O>>FC1=CC=C(C=C1)C1=CC(=CC=C1)C=1OC(=C(N1)CCOC1=CC=C(C=C1)CC(C(=O)O)(OC1=CC=CC=C1)C)C | 5 |
ClC(C(=O)OC(C(Cl)(F)F)=O)(F)F.[Na].FC=1C=C(C=CC1F)[C@@H]1C[C@@H](C=2N1N=C(N2)S)F>>FC(F)SC=1N=C2N(N1)[C@@H](C[C@@H]2F)C2=CC(=C(C=C2)F)F | 5 |
[C:1]1([S:7]([N:10]2[C:14]3[CH:15]=[N:16][C:17]([C:20]#[N:21])=[C:18]([OH:19])[C:13]=3[C:12]3[CH:22]=[C:23](Br)[CH:24]=[N:25][C:11]2=3)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1>[Pd].C(OCC)(=O)C.CN(C)C=O.C(N(CC)CC)C>[C:1]1([S:7]([N:10]2[C:14]3[CH:15]=[N:16][C:17]([C:20]#[N:21])=[C:18]([OH:19])[C:13]=3[C:12]3[CH:... | 1 |
Br[C:2]1[CH:3]=[C:4]2[CH:14]=[N:13][N:12]([C:15]3[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=3)[C:5]2=[C:6]2[C:11]=1[CH:10]=[N:9][CH:8]=[CH:7]2.[C:22]([O:26][C:27]([N:29]1[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]1)=[O:28])([CH3:25])([CH3:24])[CH3:23].C([O-])([O-])=O.[Cs+].[Cs+]>>[C:22]([O:26][C:27]([N:29]1[CH2:34][CH2:3... | 2 |
N1(CCCC1)CC#CC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC1OCCCC1>>N1(CCCC1)CCCC1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)OC1OCCCC1 | 5 |
C1(=CC=C(C=C1)S(=O)(=O)N1CCN(CCN(CC1)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)C>C(C)(=O)O.Br>C1(=CC=C(C=C1)S(=O)(=O)N1CCNCCNCC1)C | 3 |
[N:1]1[C:6]2[O:7][CH2:8][CH2:9][O:10][C:5]=2[CH:4]=[C:3]([CH2:11][N:12]([CH:20]2[CH2:25][CH2:24][N:23]([CH2:26][CH:27]3[C:36]4[C:31]5=[C:32]([O:38][CH2:39][C:40](=[O:41])[N:30]5[CH2:29][CH2:28]3)[CH:33]=[CH:34][C:35]=4[F:37])[CH2:22][CH2:21]2)C(=O)OC(C)(C)C)[N:2]=1.FC(F)(F)C(O)=O.[CH2:49]([Cl:51])[Cl:50]>>[NH3:1].[CH3:... | 2 |
O.NN>O.CO[H].NC(=O)N>NNC(N)=O | 3 |
[NH2:1][C:2]1[N:6]([C@H:7]2[CH2:12][CH2:11][CH2:10][N:9]([C:13]#[N:14])[CH2:8]2)[N:5]=[C:4]([C:15]2[CH:20]=[CH:19][C:18]([O:21]C3C=CC=C(C(F)(F)F)N=3)=[CH:17][CH:16]=2)[C:3]=1[C:32]([NH2:34])=[O:33].[Cl:35][C:36]1[CH:37]=[C:38]([F:43])[C:39](F)=[N:40][CH:41]=1>>[NH2:1][C:2]1[N:6]([C@H:7]2[CH2:12][CH2:11][CH2:10][N:9]([C... | 2 |
O(C1=CC=CC=C1)C[C@@H]1CO1.Cl.Cl.N[C@H](CO)CC1=CC=C(C=C1)OC1=NC=CC=N1>>Cl.Cl.O[C@@H](CN[C@H](CO)CC1=CC=C(C=C1)OC1=NC=CC=N1)COC1=CC=CC=C1 | 5 |
C(#N)C=1C(=NC=CN1)Cl>>C(C)(=O)O.ClC=1C(=NC=CN1)CN | 5 |
[CH2:1]([CH:3]1[CH2:7][CH:6]([CH2:8][OH:9])[CH2:5][CH:4]1[C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH3:2].[CH3:17][S:18](Cl)(=[O:20])=[O:19]>C(Cl)Cl>[CH2:1]([CH:3]1[CH2:7][CH:6]([CH2:8][O:9][S:18]([CH3:17])(=[O:20])=[O:19])[CH2:5][CH:4]1[C:10]([O:12][C:13]([CH3:15])([CH3:14])[CH3:16])=[O:11])[CH3:2] | 1 |
C1(CCC(=O)O1)=O.ClC=1C=CC2=C(N(C(S2)=O)CC(=O)N2CC(CCC2)O)C1>C1CCCO1.c1ccncc1>ClC=1C=CC2=C(N(C(S2)=O)CC(=O)N2CC(CCC2)OC(=O)CCC(=O)O)C1 | 3 |
ClC1=CC=NC2=CC(=CC=C12)C(F)(F)F.O[C@@H]1CC[C@H](CC1)C(C(=O)OCC)CC>CS(=O)C.[H-].[Na+].[Cl-].[NH4+]>FC(C1=CC=C2C(=CC=NC2=C1)O[C@@H]1CC[C@H](CC1)C(C(=O)OCC)CC)(F)F | 3 |
Br[C:2]1[CH:9]=[CH:8][C:7]([C:10]([F:13])([F:12])[F:11])=[CH:6][C:3]=1[C:4]#[N:5].[CH3:14][O-:15].[Na+]>>[CH3:14][O:15][C:2]1[CH:9]=[CH:8][C:7]([C:10]([F:13])([F:12])[F:11])=[CH:6][C:3]=1[C:4]#[N:5] | 1 |
C1(CC1)C=1C(=NC=C(C(=O)O)C1)OCC(F)(F)F.Cl.FC1=CC=C(C=C1)N(N)C>>FC1=CC=C(C=C1)N(NC(C1=CN=C(C(=C1)C1CC1)OCC(F)(F)F)=O)C | 5 |
[CH:1](=[N:8]/[CH2:9][CH2:10][OH:11])\[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[BH4-].[Na+]>CCO>[CH2:1]([NH:8][CH2:9][CH2:10][OH:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
NC=1C=NC=CC1.BrC=1C=CC(=C(C(=O)O)C1)OCC1=C(C=C(C=C1)F)F>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C.C(C)N1CCOCC1>BrC=1C=CC(=C(C(=O)NC=2C=NC=CC2)C1)OCC1=C(C=C(C=C1)F)F | 3 |
N([O-])=O.[Na+].N[C:6]1[C:7]([O:16][CH3:17])=[C:8]([CH:13]=[CH:14][CH:15]=1)[C:9]([O:11]C)=[O:10].[ClH:18]>O.CO.[OH-].[Na+]>[Cl:18][C:6]1[C:7]([O:16][CH3:17])=[C:8]([CH:13]=[CH:14][CH:15]=1)[C:9]([OH:11])=[O:10] | 1 |
ClCCCN=C=O.NC1=NC(=NC(=N1)CC1=C(C=CC=C1Cl)Cl)NC1=CC=C(C#N)C=C1>CC#N.O1CCOCC1.[H-].[Na+]>C(#N)C1=CC=C(C=C1)NC1=NC(=NC(=N1)CC1=C(C=CC=C1Cl)Cl)NCCCNC(=O)N | 3 |
ClC1=NC=CC(=N1)C1=C(N=C(S1)C(C)(C)C)C=1C(=C(C=CC1)NS(=O)(=O)C1=C(C=CC=C1F)F)F>CCN(CC)CC.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(CC)O.C(=C)[B-](F)(F)F.[K+]>CC(C)(C)C=1SC(=C(N1)C=1C(=C(C=CC1)NS(=O)(=O)C1=C(C=CC=C1F)F)F)C1=NC(=NC=C1)C=C | 3 |
COCOC1=C(C(=C(C=C1)C)[N+](=O)[O-])C>CO[H].[HH].[Pd]>COCOC=1C(=C(N)C(=CC1)C)C | 3 |
CC=1C=CC(=NC1)[Sn](CCCC)(CCCC)CCCC.BrC1=NN(C=C1[N+](=O)[O-])C1CCC(CC1)C(=O)OC>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC=1C=CC(=NC1)C1=NN(C=C1[N+](=O)[O-])C1CCC(CC1)C(=O)OC | 3 |
C(OC([NH:8][C:9]1[CH:17]=[C:16]2[C:12]([C:13]([C:29](=[O:33])[CH:30]([CH3:32])[CH3:31])=[C:14]([CH2:26][CH2:27][CH3:28])[N:15]2[CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[Cl:25])=[CH:11][CH:10]=1)=O)(C)(C)C.Cl>C(OCC)(=O)C.[OH-].[Na+]>[NH2:8][C:9]1[CH:17]=[C:16]2[C:12]([C:13]([C:29](=[O:33])[CH:30]([CH3:32])[C... | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[O:11][CH:10]=[N:9][CH:8]=1.[CH3:12][S:13][C:14]1[CH:15]=[C:16]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][C:26](O)=[O:27])[CH:17]=[CH:18][CH:19]=1>>[O:27]=[C:26]([C:10]1[O:11][C:7]([C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=2)=[CH:8][N:9]=1)[CH2:25][CH2:24][CH2:23][CH2:22]... | 2 |
[O:1]=[C:2]([CH3:9])[CH2:3][C:4]([O:6][CH2:7][CH3:8])=[O:5].[H-].[Na+].[Li]CCCC.Br[CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>C1COCC1>[O:1]=[C:2]([CH2:9][CH2:18][C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[CH2:3][C:4]([O:6][CH2:7][CH3:8])=[O:5] | 2 |
C(#N)C1=C(OC2=C(C(=O)OC)C=CC(=C2)F)C=CC=C1F>>NC1=NNC2=CC=CC(=C12)OC1=C(C(=O)OC)C=CC(=C1)F | 5 |
Br[C:2]1[CH:8]=[CH:7][CH:6]=[C:5]([N+:9]([O-:11])=[O:10])[C:3]=1[NH2:4].[F:12][C:13]1[S:17][C:16](B2OC(C)(C)C(C)(C)O2)=[CH:15][CH:14]=1.C([O-])([O-])=O.[Cs+].[Cs+].CCOC(C)=O>O1CCOCC1.O.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]>[F:12][C:13]1[S:17][C:16]([C:2]2[CH:8]=... | 2 |
BrC=1C(=C(C=CC1)C=1OC2=C(N1)C=C(C=C2Cl)C(=O)OC)C>CC(C)C[AlH]CC(C)C.ClCCl.C(C)(=O)OCC>BrC=1C(=C(C=CC1)C=1OC2=C(N1)C=C(C=C2Cl)CO)C | 3 |
ClC1=C(CN)C=CC(=C1)F.OCCN1N=CC(=C1C(F)(F)F)CC(=O)O>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C.C(C)N1CCOCC1>ClC1=C(C=CC(=C1)F)CNC(CC=1C=NN(C1C(F)(F)F)CCO)=O | 3 |
[F:1][C:2]([F:19])([F:18])[C:3]([N:5]1[CH2:11][CH:10]([CH3:12])[C:9]2[CH:13]=[CH:14][C:15](O)=[CH:16][C:8]=2[CH2:7][CH2:6]1)=[O:4].[CH3:20][N:21]1[C:25]([Sn](CCCC)(CCCC)CCCC)=[CH:24][CH:23]=[N:22]1.[Li+].[Cl-]>CN(C)C=O.CCOC(C)=O>[F:1][C:2]([F:19])([F:18])[C:3]([N:5]1[CH2:11][CH:10]([CH3:12])[C:9]2[CH:13]=[CH:14][C:15](... | 2 |
[C:1]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[N:11]1[CH2:16][CH2:15][N:14]([C:17]([NH:19][CH2:20][CH2:21][C:22]([O:24]CC)=[O:23])=[O:18])[CH2:13][CH2:12]1)([CH3:4])([CH3:3])[CH3:2].O.[OH-].[Li+].O.Cl>O1CCCC1>[C:1]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[N:11]1[CH2:12][CH2:13][N:14]([C:17]([NH:19][CH2:20][CH2:21][C:22... | 1 |
C(CC)NCCC.C(#C)C1=CC=C(C=O)C=C1.COC([C@H]([C@@H](C)O)NS(=O)C1=CC=C(C=C1)Br)=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].c3c(P(c1ccccc1)c2ccccc2)cccc3.C(C)(=O)OCC>COC([C@H]([C@@H](C)O)NS(=O)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C=O)=O | 3 |
BrC1=CC=2C(N(C(C=3C2C=2C(C(N(C(C12)=O)CCCN1CCOCC1)=O)=CC3NCCN3CCCC3)=O)CCCN3CCOCC3)=O.CC1(OB(OC1(C)C)C1=CC=C(CNC2CCCC2)C=C1)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C(O)([O-])=O.[Na+].COC=1C=CC=C(C1C=2C=CC=CC2P(C3CCCCC3)C4CCCCC4)OC.[Pd]>C1(CCCC1)NCC1=CC=C(C=C1)C1=CC=2C(N(C(C=3C2C=2C(C(N(C(C12)=O)CCCN1CCOCC1)=O)=CC3NCCN3CCC... | 3 |
[CH2:1]([C:3]1[CH:11]=[C:10]2[C:6]([CH2:7][C:8](=O)[C:9]2=O)=[CH:5][CH:4]=1)[CH3:2].[NH2:14]/[C:15](/[C:20]#[N:21])=[C:16](\[NH2:19])/[C:17]#[N:18].CC([OH:25])C>>[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]2[C:7](=[O:25])[C:8]3[C:9]([C:10]=2[CH:11]=1)=[N:14][C:15]([C:20]#[N:21])=[C:16]([C:17]#[N:18])[N:19]=3)[CH3:2] | 1 |
C(C)(C)(C)OC(=O)CCCCC(=O)O>O.CO[H]>C(C)(C)(C)OC(CCCCC(=O)[O-])=O.[Cs+] | 3 |
CC1(CN(C1)C=1C=NC(=CC1)[N+](=O)[O-])O>CO[H].[HH].[Pd]>NC1=CC=C(C=N1)N1CC(C1)(O)C | 3 |
[CH3:1][O:2][C:3]1[CH:11]=[CH:10][CH:9]=[CH:8][C:4]=1[C:5]([OH:7])=O.[CH2:12]([NH:14][CH2:15][CH3:16])[CH3:13]>S(Cl)(Cl)=O.O.CN(C)C=O>[CH2:12]([N:14]([CH2:15][CH3:16])[C:5](=[O:7])[C:4]1[CH:8]=[CH:9][CH:10]=[CH:11][C:3]=1[O:2][CH3:1])[CH3:13] | 1 |
C(C1=CC=CC=C1)P(CC)(CC)=O>S(O)(O)(=O)=O.[N+](=O)(O)[O-].N>[N+](=O)([O-])C1=CC=C(CP(CC)(CC)=O)C=C1 | 3 |
Br[C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Br:9])[C:7]=1[CH3:8].C[C:11]1[CH:19]=[C:18]2[C:14]([CH2:15][NH:16][C:17]2=[O:20])=[CH:13][CH:12]=1.[C:21](=O)([O-])[O-].[K+].[K+].CNCCNC>O1CCOCC1.[Cu]I>[Br:9][C:6]1[C:7]([CH3:8])=[C:2]([N:16]2[CH2:15][C:14]3[C:18](=[CH:19][CH:11]=[C:12]([CH3:21])[CH:13]=3)[C:17]2=[O:20])[CH:3]=[N:4][CH... | 1 |
ClC=1C=C(C=CC1Cl)O.C(#CC(=O)OC)C(=O)OC>[OH-].[Na+].O1CCOCC1.[OH-].C(C1=CC=CC=C1)[N+](C)(C)C>ClC=1C=C(OC(C(=O)O)=CC(=O)O)C=CC1Cl | 3 |
C(OC(=O)[NH:7][CH2:8][C:9]1[C:18]2[C:13](=[CH:14][C:15]([O:21][CH3:22])=[C:16]([O:19][CH3:20])[CH:17]=2)[C:12]([C:23]([N:25]2[CH2:29][CH2:28][CH2:27][CH2:26]2)=[O:24])=[CH:11][N:10]=1)(C)(C)C.[ClH:31]>CCOC(C)=O>[ClH:31].[NH2:7][CH2:8][C:9]1[C:18]2[C:13](=[CH:14][C:15]([O:21][CH3:22])=[C:16]([O:19][CH3:20])[CH:17]=2)[C:... | 1 |
O.O.[Sn](Cl)Cl.[CH3:6][O:7][C:8]1[CH:25]=[CH:24][C:11]([CH2:12][NH:13][C:14]2[C:19]([N+:20]([O-])=O)=[CH:18][N:17]=[C:16]([Br:23])[CH:15]=2)=[CH:10][CH:9]=1>CCO>[CH3:6][O:7][C:8]1[CH:9]=[CH:10][C:11]([CH2:12][NH:13][C:14]2[CH:15]=[C:16]([Br:23])[N:17]=[CH:18][C:19]=2[NH2:20])=[CH:24][CH:25]=1 | 1 |
C(C)(=O)O[C@@H]1C[C@H]([C@@](CC1)(C)[C@@H]1[C@H]([C@@H]2CCC([C@]2(CC1)C)=C)C(=O)O)COC(C)=O>>O[C@@H]1C[C@H]([C@@](CC1)(C)[C@@H]1[C@H]([C@@H]2CCC([C@]2(CC1)C)=C)C(=O)O)CO | 5 |
NCCCO.BrC1=CC(=C(C=C1)NC1=CC(N2CCCC2=C1C(=O)O)=O)F>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>OCCCNC(=O)C=1C(=CC(N2CCCC12)=O)NC1=C(C=C(C=C1)Br)F | 3 |
[C:1]([O:5][C:6](=[O:23])[NH:7][CH2:8][CH2:9][O:10][C:11]1[CH:12]=[CH:13][CH:14]=[C:15]2[C:20]=1[N:19]=[C:18]([CH3:21])[CH:17]=[C:16]2Cl)([CH3:4])([CH3:3])[CH3:2].[Cl:24][C:25]1[CH:26]=[C:27]([CH:30]=[CH:31][C:32]=1[Cl:33])[CH2:28][NH2:29]>CS(C)=O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Cu+2]>[C:1]([O:5][C:6](=[O:23])[NH:7][CH2... | 1 |
[OH:1][C@@H:2]([C@H:4]1[C:25](=[O:26])[N:6]2[C@@H:7]([C:12]([O:14][CH2:15][C:16]3[CH:21]=[CH:20][C:19]([N+:22]([O-:24])=[O:23])=[CH:18][CH:17]=3)=[O:13])[C:8](=O)[C@H:9]([CH3:10])[C@H:5]12)[CH3:3].[N:27]1[CH:32]=[CH:31][C:30]([S:33]([C:36]2[N:37]=[CH:38][N:39]3[CH:43]=[C:42]([Sn](CCCC)(CCCC)CCCC)[S:41][C:40]=23)(=[O:35... | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[N:9]1[C:15]2=[N:16][C:17]3[CH:22]=[CH:21][CH:20]=[C:19]([CH:23]([OH:26])[CH2:24][CH3:25])[C:18]=3[N:14]2[CH2:13][CH2:12][CH2:11][CH2:10]1.C[N+]1([O-])CCOCC1>[Ru]([O-])(=O)(=O)=O.C([N+](CCC)(CCC)CCC)CC.ClCCl>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[N:9]1[C... | 1 |
ClC1=C(C(=O)O)C(=CC(=N1)Cl)C>>ClC1=C(C(=O)O)C(=CC(=[N+]1[O-])Cl)C | 5 |
C[Si](Cl)(C)C.[C:6]([C:8]1[CH:13]=[C:12]([CH2:14][OH:15])[CH:11]=[CH:10][N:9]=1)#N.O.C(=O)([O-])[O-:18].[Na+].[Na+].[CH2:23]([OH:25])[CH3:24]>>[CH2:23]([O:25][C:6]([C:8]1[CH:13]=[C:12]([CH2:14][OH:15])[CH:11]=[CH:10][N:9]=1)=[O:18])[CH3:24] | 1 |
Cl.ClCC1=NC2=CC=CC=C2C=C1.OC1=NNC(=C1)C(=O)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>N1=C(C=CC2=CC=CC=C12)COC1=NNC(=C1)C(=O)OC | 3 |
FC=1C=C(C#N)C=CC1CBr.ClC1=CC=CC(=N1)C1CCN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(#N)C1=CC(=C(CNC2=CC=CC(=N2)C2CCN(CC2)C(=O)OC(C)(C)C)C=C1)F | 3 |
[Cl-].[NH4+].C(O)C.[O:6]1[CH:10]=[CH:9][CH:8]=[C:7]1[C:11]1[CH:20]=[CH:19][C:14]([C:15]([O:17][CH3:18])=[O:16])=[C:13]([N+:21]([O-])=O)[CH:12]=1>[Fe].O>[NH2:21][C:13]1[CH:12]=[C:11]([C:7]2[O:6][CH:10]=[CH:9][CH:8]=2)[CH:20]=[CH:19][C:14]=1[C:15]([O:17][CH3:18])=[O:16] | 1 |
C(CC#C)O.C(\C=C\C)Cl>C1CCCO1.[H-].[Na+]>C(\C=C\C)OCCC#CCC=C | 3 |
BrCCCC.ClC=1C=CC(=C(C(=O)NC=2SC3=C(N2)CCCO3)C1)OC>N(C)(C)C=O.CC(C)(C)[O-].[K+].C1CCCO1>C(CCC)N1/C(/SC2=C1CCCO2)=N/C(C2=C(C=CC(=C2)Cl)OC)=O | 3 |
[C:1](=O)([O-])[O-].[K+].[K+].S([O:12][CH3:13])(OC)(=O)=O.[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([CH2:21][C:22]([OH:24])=[O:23])=[CH:17][C:16]=1O.CI>CC(C)=O.CN(C=O)C.O>[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([CH2:21][C:22]([O:24][CH3:1])=[O:23])=[CH:17][C:16]=1[O:12][CH3:13] | 2 |
C1=CC=C2C(=C1)C3=C(C2=O)C(=CC=C3)C(=O)O.Cl.FC1=CC=C(C=C1)C(C(CC1=CC=C(C=C1)C(F)(F)F)N)O>N(C)(C)C=O.C1CCCO1.C(C(=O)Cl)(=O)Cl>FC1=CC=C(C=C1)C(C(CC1=CC=C(C=C1)C(F)(F)F)NC(=O)C1=CC=CC=2C3=CC=CC=C3C(C12)=O)O | 3 |
[C:1]([C:9]1[CH:15]=[C:14]([C:16](=[O:23])[C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[C:12]([OH:13])=[CH:11][C:10]=1[OH:24])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[Na+].[CH2:27](Cl)[CH:28]=[CH2:29]>[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[CH2:29]([C:11]1[C:12]([OH:13])=[C:14]([C:16](=[O:23])[C:17]2[CH:18]=... | 1 |
[Si](C)(C)(C(C)(C)C)OCC(COC1=C(C=C(C(=C1)Cl)C1=NOC(=N1)C=1N=C2N(C=C(C=C2Cl)C(F)(F)F)C1)Cl)O>>[Si](C)(C)(C(C)(C)C)OCC(COC1=C(C=C(C(=C1)Cl)C1=NOC(=N1)C=1N=C2N(C=C(C=C2Cl)C(F)(F)F)C1)Cl)=O | 5 |
ClC1=NC=CC(=C1F)C(=O)C(C(=O)OCC)=CNCC1=CC=C(C=C1)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC=1N=CC=C2C(C(=CN(C12)CC1=CC=C(C=C1)OC)C(=O)OCC)=O | 3 |
[Cl:1][C:2]1[N:11]=[C:10](Cl)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[CH3:13][Al](C)C.CCCCCC>C1COCC1>[Cl:1][C:2]1[N:11]=[C:10]([CH3:13])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1 | 2 |
[NH2:1][C:2]([CH3:24])([CH2:14][C:15]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[NH:17][CH:16]=1)[C:3]([NH:5][CH2:6][CH2:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[O:4].[C:25]([N:29]=[C:30]=[O:31])([CH3:28])([CH3:27])[CH3:26]>ClCCl>[CH3:26][C:25]([NH:29][C:30]([NH:1][C:2]([CH3:24])([CH2:14][C:15]1[C:23]2[C:1... | 1 |
C(OC(=O)[NH:7][C:8]1[S:9][C:10]2[CH:16]=[C:15]([CH2:17][C:18]3[CH:23]=[CH:22][C:21]([NH:24]C(OC(C)(C)C)=O)=[CH:20][CH:19]=3)[C:14]([O:32]C)=[C:13]([C:34]3[CH:39]=[CH:38][CH:37]=[C:36]([N+:40]([O-:42])=[O:41])[CH:35]=3)[C:11]=2[N:12]=1)(C)(C)C.B(Br)(Br)Br>C(Cl)Cl>[NH2:7][C:8]1[S:9][C:10]2[CH:16]=[C:15]([CH2:17][C:18]3[C... | 2 |
[CH2:1]([C:6]([CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])=[CH:7][CH:8]=O)[CH2:2][CH2:3][CH2:4][CH3:5].[C:15]([CH:19]=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)([O:17][CH3:18])=[O:16].ClCCl>C(Cl)(Cl)(Cl)Cl>[CH3:18][O:17][C:15](=[O:16])[CH:19]=[CH:8][CH:7]=[C:6]([CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[CH2:1][CH2:2][CH2:3][C... | 1 |
CN1CCC(CC1)C1=CC(=C(C=C1)NC=1N=CC2=C(N1)C(=C(S2)C(=O)O)C=2C=NNC2)OC(C)C>>CN1CCC(CC1)C1=CC(=C(C=C1)NC=1N=CC2=C(N1)C(=C(S2)C(=O)N)C=2C=NNC2)OC(C)C | 5 |
CS(Cl)(=O)=O.[C:6]([C:9]1[N:14]=[C:13]([C:15]2[CH:20]=[CH:19][C:18]([C:21]3[CH:26]=[CH:25][C:24]([CH:27]([CH2:32]O)[C:28]([O:30][CH3:31])=[O:29])=[CH:23][C:22]=3[Cl:34])=[C:17]([F:35])[CH:16]=2)[C:12]([CH3:36])=[N:11][C:10]=1[CH3:37])(=[O:8])[NH2:7].C(N(CC)CC)C.[Cl-].[NH4+]>O1CCCC1.C(OCC)(=O)C.O>[C:6]([C:9]1[N:14]=[C:1... | 1 |
[Cl:1][CH2:2][CH2:3][C:4]([C:7]1[CH:12]=[CH:11][C:10]([C:13]2[CH:18]=[CH:17][C:16]([N+]([O-])=O)=[CH:15][CH:14]=2)=[CH:9][CH:8]=1)([OH:6])[CH3:5].N([O-])=O.[Na+].B(O)(O)O.[FH:30]>O>[Cl:1][CH2:2][CH2:3][C:4]([C:7]1[CH:12]=[CH:11][C:10]([C:13]2[CH:18]=[CH:17][C:16]([F:30])=[CH:15][CH:14]=2)=[CH:9][CH:8]=1)([OH:6])[CH3:5] | 1 |
[H-].[Na+].[OH:3][C:4]([C:7]1[N:8]=[C:9]([CH2:17][CH2:18][CH3:19])[NH:10][C:11]=1[C:12]([O:14][CH2:15][CH3:16])=[O:13])([CH3:6])[CH3:5].[C:20]([N:39]1[C:43]([C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][C:45]=2[C:50]2[CH:57]=[CH:56][C:53]([CH2:54]Br)=[CH:52][CH:51]=2)=[N:42][N:41]=[N:40]1)([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35]... | 1 |
[S-2].[Li+].[Li+].[P]=S.[F-:6].[Li+].[F-:8].[S:9]([Li:11])[Li:10].[P:12]12([S:24][P:22]3([S:25][P:15]([S:17][P:18]([S:21]3)([S:20]1)=[S:19])(=[S:16])[S:14]2)=[S:23])=[S:13].FF>>[S:9]([Li:11])[Li:10].[P:12]12([S:14][P:15]3([S:17][P:18]([S:21][P:22]([S:25]3)([S:24]1)=[S:23])(=[S:19])[S:20]2)=[S:16])=[S:13].[F:6][F:8] | 1 |
ClC1=NN=C(C2=CC=CC=C12)C1=C(C=CC2=CC=C(C=C12)OC)O>>ClC1=NN=C(C2=CC=CC=C12)C1=C(C=CC2=CC=C(C=C12)OC)OS(=O)(=O)C(F)(F)F | 5 |
CC(C#N)(CC=O)C.FC(C(=O)O)(F)F.NCC(=O)NC1=C(C=C(C(=O)OC)C=C1)F>ClCCl.CCN(CC)CC>C(#N)C(C\C=N\CC(=O)NC1=C(C=C(C(=O)OC)C=C1)F)(C)C | 3 |
[CH3:1][C:2]1[C:10]([C:11]2[S:12][C:13]([C:20]3[NH:24][CH:23]=[N:22][N:21]=3)=[C:14]([O:16][CH2:17][CH:18]=[CH2:19])[N:15]=2)=[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][N:4]2[N:3]=1.O1CCCC1>C(O)C.[Pd]>[CH3:1][C:2]1[C:10]([C:11]2[S:12][C:13]([C:20]3[NH:24][CH:23]=[N:22][N:21]=3)=[C:14]([O:16][CH2:17][CH2:18][CH3:19])[N:15]=2)=[C:... | 1 |
CS[C:3](=[N:6][C:7]#[N:8])[S:4][CH3:5].[NH2:9][CH2:10][CH2:11][S:12][CH2:13][C:14]1[S:15][CH:16]=[CH:17][N:18]=1>>[C:7]([NH:6][C:3](=[N:9][CH2:10][CH2:11][S:12][CH2:13][C:14]1[S:15][CH:16]=[CH:17][N:18]=1)[S:4][CH3:5])#[N:8] | 1 |
Cl.[Cl:2][C:3]1[CH:4]=[C:5]([C@@H:9]([OH:35])[CH2:10][NH:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17]([S:20]([C:23]3[CH:33]=[CH:32][C:26]([C:27]([O:29]CC)=[O:28])=[C:25]([F:34])[CH:24]=3)(=[O:22])=[O:21])=[CH:16][CH:15]=2)[CH:6]=[CH:7][CH:8]=1.[OH-].[Na+].Cl.O>C(O)C>[ClH:2].[Cl:2][C:3]1[CH:4]=[C:5]([C@@H:9]([OH:35])... | 2 |
[CH2:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]([C:15]2[CH:20]=[CH:19][C:18]([CH2:21][CH2:22][C:23](=[O:28])[C:24]([CH3:27])([CH3:26])[CH3:25])=[C:17]([CH3:29])[CH:16]=2)([CH2:13][CH3:14])[CH2:11][CH3:12])=[CH:6][C:5]=1[CH3:30])[CH:2]=[CH2:3].[BH4-].[Na+]>CCO>[CH2:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]([C:15]2[CH:20]=[CH:19][C:18]... | 2 |
OC=1C=C2C(=NC(=NC2=C2C1OC(C2)(C)C)C)N[C@H](C)C=2C=C(C=C(C2)C(F)(F)F)NC(C)=O>CO[H].ClCCl.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)OC=1C=C2C(=NC(=NC2=C2C1OC(C2)(C)C)C)N[C@H](C)C2=CC(=CC(=C2)C(F)(F)F)NC(C)=O)(F)F | 3 |
OC=1C(NC=CC1C(=O)Cl)=O.C1(=CC=CC=C1)[C@H]1CC[C@H](CC1)N>>OC=1C(NC=CC1C(=O)N[C@@H]1CC[C@@H](CC1)C1=CC=CC=C1)=O | 5 |
ClC1=CC=C(C=C1)O.IC1=CC=C(C=C1)CCO>>ClC1=CC=C(C=C1)OC1=CC=C(C=C1)CCO | 5 |
FC1=CC=C(C=C)C=C1.BrC1=C(C=CC(=C1)F)CO>>FC1=CC(=C(C=C1)CO)\C=C\C1=CC=C(C=C1)F | 5 |
C(C)(=O)C=1C=C(C(=C(C1C1=CC(=CC(=C1)F)F)C(=O)N)C)Cl>>NC(C)C=1C=C(C(=C(C1C1=CC(=CC(=C1)F)F)C(=O)N)C)Cl | 5 |
N1C=CC2=C(C=CC=C12)C1=NC=2N3[C@H](CN(C2C=N1)CC(=O)OC(C)(C)C)COCC3>Cl>N1C=CC2=C(C=CC=C12)C1=NC=2N3[C@H](CN(C2C=N1)CC(=O)O)COCC3 | 3 |
O[C:2]1[C:7]([C:8]#[N:9])=[CH:6][N:5]=[C:4]([NH:10][C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH3:18])[CH:12]=2)[N:3]=1.CN(C=O)C.C(=O)([O-])[O-].[Na+].[Na+].O=P(Cl)(Cl)[Cl:32]>>[Cl:32][C:2]1[C:7]([C:8]#[N:9])=[CH:6][N:5]=[C:4]([NH:10][C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH3:18])[CH:12]=2)[N:3]=1 | 1 |
[C:1]1(=[N:13]O)[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.N1C(Cl)=NC(Cl)=NC=1Cl.[OH2:24].[OH-].[Na+]>C1(C)C=CC=CC=1.[Cl-].[Zn+2].[Cl-]>[C:1]1(=[O:24])[NH:13][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1 | 1 |
C(=O)C1=CN(C2=CC=CC=C12)C.NC[C@@H]1[C@H](CCC1)NC1=NC2=CC=C(C=C2C(=C1)C)OC>>COC=1C=C2C(=CC(=NC2=CC1)N[C@@H]1[C@H](CCC1)CNCC1=CN(C2=CC=CC=C12)C)C | 5 |
Cl.C(#N)C1=CC=C(CN)C=C1.IC=1C=C(C(=O)Cl)C=CC1>C1CCCO1.c1ccncc1>C(#N)C1=CC=C(CNC(C2=CC(=CC=C2)I)=O)C=C1 | 3 |
C[O:2][C:3]1[C:8]([NH2:9])=[C:7]([NH2:10])[CH:6]=[CH:5][N:4]=1.CO[C:13]1[CH:21]=[C:20]([C:22]#N)[CH:19]=[CH:18][C:14]=1[C:15]([OH:17])=[O:16].[Cl:24][CH:25](Cl)C.[CH2:28]([OH:30])C>>[ClH:24].[CH3:28][O:30][C:21]1[CH:13]=[C:14]([C:15]([O:17][CH3:25])=[O:16])[CH:18]=[CH:19][C:20]=1[C:22]1[N:9]=[C:8]2[C:3](=[O:2])[NH:4][C... | 1 |
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