smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[OH:1][N:2]1[CH:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH2:6][C:5](=NO)[CH2:4][CH:3]1[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1.[CH2:22]([OH:30])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].CS(O)(=O)=O>>[OH:1][N:2]1[CH:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH2:6][C:5]([O:30][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])([O:30][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[CH2:4][CH:3]1[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1 | 1 |
[CH3:1][O:2][C:3](=[O:12])[CH2:4][C:5]1[CH:10]=[CH:9][C:8](I)=[CH:7][CH:6]=1.[CH:13]1(B(O)O)[CH2:15][CH2:14]1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].C1(P(C2CCCCC2)C2CCCCC2)CCCCC1>C1(C)C=CC=CC=1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C(OCC)(=O)C.O>[CH3:1][O:2][C:3](=[O:12])[CH2:4][C:5]1[CH:10]=[CH:9][C:8]([CH:13]2[CH2:15][CH2:14]2)=[CH:7][CH:6]=1 | 1 |
NC1C=CC([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[C:14](=[O:24])[CH2:15][CH:16]([CH2:21][CH2:22][CH3:23])[C:17]([O:19]C)=[O:18])=CC=1.Cl[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=1[N:32]=[C:33]=[O:34].Cl[CH2:36][Cl:37]>>[Cl:37][C:36]1[CH:29]=[CH:30][CH:31]=[CH:26][C:27]=1[NH:32][C:33]([NH:32][C:27]1[CH:28]=[CH:29][C:30]([C:12]2[CH:13]=[CH:8][C:9]([C:14](=[O:24])[CH2:15][CH:16]([CH2:21][CH2:22][CH3:23])[C:17]([OH:19])=[O:18])=[CH:10][CH:11]=2)=[CH:31][CH:26]=1)=[O:34] | 2 |
ClC1=NC(=CC2=C1N=C(N=C2)S(=O)(=O)C)C.C(C)OC1=C(C=CC(=C1)C1=NN=CN1C)NC=O>C1CCCO1.CO[H].[OH-].[Na+].[H-].[Na+]>ClC1=NC(=CC2=C1N=C(N=C2)NC2=C(C=C(C=C2)C2=NN=CN2C)OCC)C | 3 |
C(C1=CC=CC=C1)OC(=O)N1[C@@H](CCC1)C(NC1=CC=C(C=C1)Br)=O>>BrC1=CC=C(NC[C@H]2N(CCC2)C)C=C1 | 5 |
C([O:3][C:4]([C:6]1[N:10]=[C:9]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([Cl:17])[CH:12]=2)[O:8][N:7]=1)=O)C.CC(C[AlH]CC(C)C)C>ClCCl>[Cl:17][C:13]1[CH:12]=[C:11]([C:9]2[O:8][N:7]=[C:6]([CH:4]=[O:3])[N:10]=2)[CH:16]=[CH:15][CH:14]=1 | 2 |
BrC=1C=C(C(=C(C=O)C1)O)OC>O.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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(C)(=O)[O-].[K+]>OC1=C(C=O)C=C(C=C1OC)B1OC(C(O1)(C)C)(C)C | 3 |
C(C)OC(C1=CC(=CC=C1)C1=C(C=NC=C1)C1=C(C=CC(=C1)Cl)OCC1=CC=CC=C1)=O>>C(C1=CC=CC=C1)OC1=C(C=C(C=C1)Cl)C=1C=NC=CC1C=1C=C(C(=O)O)C=CC1 | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([N:16]3[C:24](=[O:25])[C:23]4[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=4)[C:17]3=[O:26])[CH2:11][C:10](OC)([O:12]C)[CH2:9]2)=[CH:4][CH:3]=1.Cl>CC(C)=O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2([N:16]3[C:24](=[O:25])[C:23]4[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=4)[C:17]3=[O:26])[CH2:9][C:10](=[O:12])[CH2:11]2)=[CH:6][CH:7]=1 | 1 |
[C:1]([O:9][CH:10]([CH2:12][O:13][CH:14]([CH2:16][O:17][C:18](=[O:25])[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)[CH3:15])C)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:26]CCCCCCC/C=C\CCCCCCCC(OCC(O)[C@H]1OC[C@H](O)[C@H]1O)=O>>[CH3:15][CH:14]([O:13][CH:12]([CH2:10][O:9][C:1]([C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1)=[O:8])[CH3:26])[CH2:16][O:17][C:18]([C:19]1[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=1)=[O:25] | 2 |
C(C1=CC=CC=C1)(=O)O.NC1=C(C(=O)O)C(=CC=C1)C.C(C1=CC=CC=C1)(=O)OC(C1=CC=CC=C1)=O.CC1=CC=CC=2N=C(OC(C21)=O)C2=CC=CC=C2>CC#N>CC1=C2C(N(C(=NC2=CC=C1)C1=CC=CC=C1)C1C(NC(CC1)=O)=O)=O | 3 |
BrCCCOC.ClC1=C(C=O)C=C(C(=C1)OC)O>>ClC1=C(C=O)C=C(C(=C1)OC)OCCCOC | 5 |
[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Br-].C(CCC)[N+]1=CN(C=C1)CCCCCCCCCCCCCCCC>>[N-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.C(CCC)[N+]1=CN(C=C1)CCCCCCCCCCCCCCCC | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[NH:18]1[CH2:22][CH2:21][CH2:20][CH2:19]1.CCC([O-])(C)C.[Na+].ClCCl>C1(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2].C1(C)C=CC=CC=1>[N:18]1([C:2]2[CH:7]=[CH:6][C:5]([C:8]3([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:10][CH2:9]3)=[CH:4][CH:3]=2)[CH2:22][CH2:21][CH2:20][CH2:19]1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:15]=[CH:14][C:11]([CH:12]=[O:13])=[CH:10][CH:9]=2)=[CH:4][CH:3]=1.O[C:17]([CH3:22])([CH3:21])[C:18]([OH:20])=[O:19].O.C1(C)C=CC(S(O)(=O)=O)=CC=1.C([Mg]Cl)(C)(C)C.[Mg].C(Cl)(C)(C)C.Cl>ClC1C=CC=CC=1.CCOCC.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH:15]=[CH:14][C:11]([CH2:12][O:13][C:17]([CH3:22])([CH3:21])[C:18]([OH:20])=[O:19])=[CH:10][CH:9]=2)=[CH:6][CH:7]=1 | 1 |
C1(=CC=CC=C1)CC(=O)C1=CC=C2C(N3C(=NC2=C1)CCCCC3)=O>>OC(CC1=CC=CC=C1)C1=CC=C2C(N3C(=NC2=C1)CCCCC3)=O | 5 |
[Na].[CH2:2]([C:4]1[C:9]([NH:10][C:11]([C:13]2[N:14](CC3C=CC=CC=3)[CH:15]=[CH:16][N:17]=2)=[O:12])=[CH:8][N:7]=[CH:6][N:5]=1)[CH3:3].N>>[CH2:2]([C:4]1[C:9]([NH:10][C:11]([C:13]2[NH:17][CH:16]=[CH:15][N:14]=2)=[O:12])=[CH:8][N:7]=[CH:6][N:5]=1)[CH3:3] | 1 |
[NH2:1][CH:2]1[CH2:15][C:5]2[NH:6][C:7]3[CH:8]=[CH:9][C:10]([C:13]#[N:14])=[CH:11][C:12]=3[C:4]=2[CH2:3]1.C(N(C(C)C)CC)(C)C.Cl[C:26]([O:28][CH:29]([CH3:31])[CH3:30])=[O:27]>C(Cl)Cl.O.C(OCC)C>[CH:29]([O:28][C:26](=[O:27])[NH:1][CH:2]1[CH2:15][C:5]2[NH:6][C:7]3[CH:8]=[CH:9][C:10]([C:13]#[N:14])=[CH:11][C:12]=3[C:4]=2[CH2:3]1)([CH3:31])[CH3:30] | 1 |
FC1=CC(=C(C=C1)C(CC=O)(C)C)OC>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C[Si](C(F)(F)F)(C)C>FC(C(CC(C)(C)C1=C(C=C(C=C1)F)OC)O)(F)F | 3 |
CI.OC(CN1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=C(N2)C)C(C)(C)C>>COC(CN1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=C(N2)C)C(C)(C)C | 5 |
C(OC([NH:8][CH2:9][C@H:10]1[CH2:15][CH2:14][C@H:13]([C:16]([NH:18][C@H:19]([C:50](=[O:63])[NH:51][C:52]2[CH:57]=[CH:56][C:55]([C:58]3[N:59]=[N:60][NH:61][N:62]=3)=[CH:54][CH:53]=2)[CH2:20][C:21]2[CH:26]=[CH:25][C:24]([C:27]3[CH:32]=[CH:31][C:30]([C:33]([NH:35][CH:36]4[CH2:41][CH2:40][N:39](C(OC(C)(C)C)=O)[CH2:38][CH2:37]4)=[O:34])=[CH:29][C:28]=3[CH3:49])=[CH:23][CH:22]=2)=[O:17])[CH2:12][CH2:11]1)=O)(C)(C)C.[ClH:64]>O1CCOCC1>[ClH:64].[NH2:8][CH2:9][C@H:10]1[CH2:11][CH2:12][C@H:13]([C:16]([NH:18][C@H:19]([C:50](=[O:63])[NH:51][C:52]2[CH:53]=[CH:54][C:55]([C:58]3[N:59]=[N:60][NH:61][N:62]=3)=[CH:56][CH:57]=2)[CH2:20][C:21]2[CH:22]=[CH:23][C:24]([C:27]3[CH:32]=[CH:31][C:30]([C:33]([NH:35][CH:36]4[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]4)=[O:34])=[CH:29][C:28]=3[CH3:49])=[CH:25][CH:26]=2)=[O:17])[CH2:14][CH2:15]1 | 2 |
[Na+:1].[Na+].[Na+].[NH2:4][C:5]1[C:14]2[C:13]([S:15]([O-:18])(=[O:17])=[O:16])=[CH:12][C:11]([S:19]([O-:22])(=[O:21])=[O:20])=[CH:10][C:9]=2[C:8]([S:23]([O-:26])(=[O:25])=[O:24])=[CH:7][CH:6]=1.O.O.O.C([O-])(=O)C.[Na+].[N+:35]([C:38]1[CH:39]=[C:40]([CH3:47])[CH:41]=[CH:42][C:43]=1[C:44](Cl)=[O:45])([O-:37])=[O:36].C([O-])(=O)C.[Na+].Cl>O.CCOCC>[Na+:1].[Na+:1].[Na+:1].[N+:35]([C:38]1[CH:39]=[C:40]([CH3:47])[CH:41]=[CH:42][C:43]=1[C:44]([NH:4][C:5]1[C:14]2[C:13]([S:15]([O-:18])(=[O:17])=[O:16])=[CH:12][C:11]([S:19]([O-:22])(=[O:20])=[O:21])=[CH:10][C:9]=2[C:8]([S:23]([O-:26])(=[O:25])=[O:24])=[CH:7][CH:6]=1)=[O:45])([O-:37])=[O:36] | 1 |
FC1=C2C=CNC2=CC(=C1)F>ClCCl.C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>FC1=C2CCNC2=CC(=C1)F | 3 |
Cl.CON.FC=1C=C(CN2C3=CC=C(C=C3C=3C[C@@H](CCC23)NC(C(C)C)=O)C=O)C=CC1>c1ccncc1>FC=1C=C(CN2C3=CC=C(C=C3C=3C[C@@H](CCC23)NC(C(C)C)=O)C=NOC)C=CC1 | 3 |
[Cl:1][C:2]1[C:3]([C:27]2[C:35]3[C:30](=[CH:31][CH:32]=[CH:33][CH:34]=3)[N:29]([CH3:36])[CH:28]=2)=[N:4][C:5]([NH:8][C:9]2[CH:14]=[C:13]([N+:15]([O-])=O)[C:12]([N:18]3[CH2:21][CH:20]([N:22]([CH3:24])[CH3:23])[CH2:19]3)=[CH:11][C:10]=2[O:25][CH3:26])=[N:6][CH:7]=1.[NH4+].[Cl-]>C(O)C.O.[Fe]>[Cl:1][C:2]1[C:3]([C:27]2[C:35]3[C:30](=[CH:31][CH:32]=[CH:33][CH:34]=3)[N:29]([CH3:36])[CH:28]=2)=[N:4][C:5]([NH:8][C:9]2[C:10]([O:25][CH3:26])=[CH:11][C:12]([N:18]3[CH2:19][CH:20]([N:22]([CH3:24])[CH3:23])[CH2:21]3)=[C:13]([NH2:15])[CH:14]=2)=[N:6][CH:7]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:12]=[CH:11][C:10]2[C:5](=[C:6]([C:13](=[CH2:18])[C:14]([O:16][CH3:17])=[O:15])[CH:7]=[CH:8][CH:9]=2)[N:4]=1.[NH:19]1[CH2:24][CH2:23][CH:22]([NH:25][C:26](=[O:32])[O:27][C:28]([CH3:31])([CH3:30])[CH3:29])[CH2:21][CH2:20]1>CN(C=O)C.CN(C)C(=N)N(C)C>[CH3:31][C:28]([O:27][C:26]([NH:25][CH:22]1[CH2:21][CH2:20][N:19]([CH2:18][CH:13]([C:6]2[CH:7]=[CH:8][CH:9]=[C:10]3[C:5]=2[N:4]=[C:3]([O:2][CH3:1])[CH:12]=[CH:11]3)[C:14]([O:16][CH3:17])=[O:15])[CH2:24][CH2:23]1)=[O:32])([CH3:29])[CH3:30] | 2 |
C([NH:9][C:10]([NH:12][C:13]1[C:18]([Br:19])=[CH:17][C:16]([F:20])=[CH:15][C:14]=1[Br:21])=[S:11])(=O)C1C=CC=CC=1.C[O-].[Na+]>CO>[Br:19][C:18]1[CH:17]=[C:16]([F:20])[CH:15]=[C:14]([Br:21])[C:13]=1[NH:12][C:10]([NH2:9])=[S:11] | 1 |
ClC1=C(C(=O)O)C=CC(=C1Cl)C>>ClC1=C(C(=O)Cl)C=CC(=C1Cl)C | 5 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([O:12][C:13]([F:16])([F:15])[F:14])=[C:6]([S:8](Cl)(=[O:10])=[O:9])[CH:7]=1.[N:17]1[C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[CH:20]=[C:19]([NH2:27])[CH:18]=1>CN(C1C=CN=CC=1)C.N1C=CC=CC=1>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([O:12][C:13]([F:16])([F:15])[F:14])=[C:6]([S:8]([NH:27][C:19]2[CH:18]=[N:17][C:26]3[C:21]([CH:20]=2)=[CH:22][CH:23]=[CH:24][CH:25]=3)(=[O:10])=[O:9])[CH:7]=1 | 2 |
COC1=NC=CC=C1C(=C)C>CO[H].[HH].[Pd]>C(C)(C)C=1C(=NC=CC1)OC | 3 |
COC(CNC(=O)C1=C(C=NC=C1)N)=O>>COC(CN1C(NC2=C(C1=O)C=CN=C2)=O)=O | 5 |
Cl[C:2]([O:4][CH:5]([CH3:7])[CH3:6])=[O:3].N1C=CC=CC=1.[CH2:14]([OH:17])[CH2:15][OH:16]>C(Cl)Cl>[C:2](=[O:3])([O:4][CH:5]([CH3:7])[CH3:6])[O:16][CH2:15][CH2:14][OH:17] | 1 |
[CH:1]([C:4]1[CH:5]=[C:6]([CH:9]=[C:10]([CH:13]([CH3:15])[CH3:14])[C:11]=1[OH:12])[CH:7]=O)([CH3:3])[CH3:2].[C:16]1([S:22]([CH2:25][C:26]#[N:27])(=[O:24])=[O:23])[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1>>[CH:1]([C:4]1[CH:5]=[C:6](/[CH:7]=[C:25](/[S:22]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)(=[O:23])=[O:24])\[C:26]#[N:27])[CH:9]=[C:10]([CH:13]([CH3:15])[CH3:14])[C:11]=1[OH:12])([CH3:3])[CH3:2] | 1 |
C(C)(C)(C)OC(=O)N(CC1CCC1)CC1=CC=2C=NC(=CC2N1)C(=O)OC>>C1(CCC1)CN(C(OC(C)(C)C)=O)CC1=CC=2C=NC(=CC2N1)CO | 5 |
C1(CC1)[Mg]Br.C1(=C(C=CC=C1)C1=C2C=C(CC2=CC=C1)Br)C1=CC=CC=C1>>C1(=C(C=CC=C1)C1=C2C=C(CC2=CC=C1)C1CC1)C1=CC=CC=C1 | 5 |
OC1=CC=2[C@@H]3N(N4C(C2C=C1OC)=CC(C(=C4)C(=O)OCC)=O)C(CC3)(C)C>ClCCl.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+].C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F>COC=1C(=CC=2[C@@H]3N(N4C(C2C1)=CC(C(=C4)C(=O)OCC)=O)C(CC3)(C)C)OS(=O)(=O)C(F)(F)F | 3 |
C(CC)SC=1N=NNC1>O.[Na].C(C)(=O)O.S(=O)([O-])OS(=O)[O-].[Na+].[Na+]>C(CC)S(=O)(=O)C=1N=NNC1 | 3 |
C(C)SC1=C(C=CC=C1)C1=NC=2C(=NC=C(C2)C(C(F)(F)F)O)N1C>>ClC(C(F)(F)F)C=1C=C2C(=NC1)N(C(=N2)C2=C(C=CC=C2)SCC)C | 5 |
FC(C=1C=C(C=CC1)B(O)O)(F)F.ClC1=CC=C2C(=N1)N(C=C2)C(=O)OC>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>FC(C=1C=C(C=CC1)C1=CC=C2C(=N1)NC=C2)(F)F | 3 |
ClC=1C=C(C=CC1C(=O)OC)C1=CC=C(C=C1)[N+](=O)[O-]>[Fe].CCO[H].Cl>NC1=CC=C(C=C1)C1=CC(=C(C=C1)C(=O)OC)Cl | 3 |
CC1(CC2CCC(CN2C1=O)C(=O)OC)C>O.C1CCCO1.CO[H].[OH-].[Li+]>CC1(CC2CCC(CN2C1=O)C(=O)O)C | 3 |
CI.C(C)(C)OC1=CC=CC(=C1C1=C(C=C(C=C1)OC(C)C)OC)C=1OCC(N1)(C)C>C(C)OCC.CS(=O)C>[I-].C(C)(C)OC1=CC=CC(=C1C1=C(C=C(C=C1)OC(C)C)OC)C=1OCC([N+]1C)(C)C | 3 |
CC[Mg+].[Br-].C(CCCC=C)=O>>CCC(CCCC=C)O | 5 |
[OH:1][CH2:2][C:3]([CH3:8])([CH3:7])[C:4]([OH:6])=[O:5].[CH2:9](Br)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C>[OH:1][CH2:2][C:3]([CH3:8])([CH3:7])[C:4]([O:6][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)=[O:5] | 2 |
S(=O)(=O)(ON1C([C@@H](C1=O)N)(C)C)O.C(C)(C)(C)OC([C@H](COC1=CC=C(C=C1)[C@@H]1N=C(N(C1)C(=O)OC(C)(C)C)N(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ON=C(C(=O)O)C=1N=C(SC1)NC(=O)OC(C)(C)C)=O>N(C)(C)C=O.C1(CCCCC1)N=C=NC1CCCCC1.OC1=CC=CC=2NN=NC21.C(O)([O-])=O.[Na+]>C(C)(C)(C)OC([C@H](COC1=CC=C(C=C1)[C@@H]1N=C(N(C1)C(=O)OC(C)(C)C)N(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O\N=C(/C(=O)N[C@H]1C(N(C1=O)OS(=O)(=O)O)(C)C)\C=1N=C(SC1)NC(=O)OC(C)(C)C)=O | 3 |
BrC1CCN(CC1)C(=O)OC(C)(C)C.N1N=CC(=C1)C1=NN2C(=NC=3C=CC=CC3C2=N1)N[C@H]1C(NCCCC1)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>O=C1NCCCC[C@H]1NC1=NC=2C=CC=CC2C=2N1N=C(N2)C=2C=NN(C2)C2CCN(CC2)C(=O)OC(C)(C)C | 3 |
OC1=C(C=C(C=C1)CCC(=O)OCC)OCCCOC>>COCCCOC=1C=C(C=CC1OS(=O)(=O)C(F)(F)F)CCC(=O)OCC | 5 |
ClC1=C(C=O)C(=CC=C1F)Cl.NN1C=CC2=NC=C(C=C21)C=2C=NN(C2)C2CCN(CC2)C(=O)OC(C)(C)C>>ClC1=C(C(=CC=C1F)Cl)\C=N\N1C=CC2=NC=C(C=C21)C=2C=NN(C2)C2CCN(CC2)C(=O)OC(C)(C)C | 5 |
N[C@H](C(=O)O)CC>>FC(C(=O)N[C@H](C(=O)O)CC)(F)F | 5 |
COC1=NC(=CC(=N1)N1CCC(CC1)N(C(OCC1=CC=CC=C1)=O)C)C>>COC1=NC(=CC(=N1)N1CCC(CC1)NC)C | 5 |
C[C@H]1CC[C@@H](NC1)C=1C=C(C=CC1)C1CN(CCC1)C(=O)OC(C)(C)C>O.C1CCCO1.[OH-].[K+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>CN1CC(CCC1)C1=CC(=CC=C1)[C@@H]1NC[C@H](CC1)C | 3 |
O1C(CC2=C1C=CC=C2)C(=O)O>O.C(C)OCC.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1C(CC2=C1C=CC=C2)CO | 3 |
BrC=1C=CC=2N(C([C@@H]3N(C2N1)C[C@H](C3)O)=O)C3=CC=C(C=C3)C(F)(F)F>C1CCCO1.CO[H].CSC.B(F)(F)F>BrC=1C=CC=2N(C[C@@H]3N(C2N1)C[C@H](C3)O)C3=CC=C(C=C3)C(F)(F)F | 3 |
C(C)(C)(C)OC(NC1CCN(CC1)C=1C2=C(N=CN1)C(=CS2)C)=O>C(=O)(C(F)(F)F)O>CC1=CSC2=C1N=CN=C2N2CCC(CC2)N | 3 |
BrC1=CC=C(C=C1)O>C1(=CC=CC=C1)C.O.[OH-].[Na+].B(F)(F)F.CCOCC.C1=CCCCC1>BrC1=CC=C(C=C1)OC1CCCCC1 | 3 |
CC1=CC=C(C=O)C=C1.ClC=1C(=NC=CC1)C=1C=C(N)C=C(C1)C1=NC=2C(=NC=CC2)N1>>ClC=1C(=NC=CC1)C=1C=C(NCC2=CC=C(C=C2)C)C=C(C1)C1=NC=2C(=NC=CC2)N1 | 5 |
ClC1=NC(N2C(C3=CC(=C(C=C3CC2)OC)OC)=C1)=O.BrC1=CC(=C(C(=C1)C)O)C>ClCCl.C([O-])([O-])=O.[K+].[K+].CC(C)O>BrC1=CC(=C(OC2=NC(N3C(C4=CC(=C(C=C4CC3)OC)OC)=C2)=O)C(=C1)C)C | 3 |
FC=1C(=CC=2N(C(C(=C(N2)N2CC(CCC2)O)/C=C/C(=O)OC(C)(C)C)=O)C1)CCC=1SC=C(N1)C(C)C>Cl>FC=1C(=CC=2N(C(C(=C(N2)N2CC(CCC2)O)C=CC(=O)O)=O)C1)CCC=1SC=C(N1)C(C)C | 3 |
C(CCC)[Sn](C=1SC=CC1)(CCCC)CCCC.BrC1=CC=2OC3=C(C2C=2C=CC=CC12)C1=CC=CC=C1C(=C3)Br>>S1C(=CC=C1)C1=CC=2OC3=C(C2C=2C=CC=CC12)C1=CC=CC=C1C(=C3)C=3SC=CC3 | 5 |
ClC=1C=C2C(=C(C(C3(CCOCC3)C2=CC1Cl)=O)C(=O)NCC(=O)OC(C)(C)C)O>>ClC=1C=C2C(=C(C(C3(CCOCC3)C2=CC1Cl)=O)C(=O)NCC(=O)O)O | 5 |
C1(CCCCC1)=O.Cl.FC1CCNCC1>>FC1CCN(CC1)C1(CCCCC1)C#N | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([CH2:8][CH:9]([NH2:11])[CH3:10])[CH:5]=[CH:6][CH:7]=1.[CH:12](OCC)=[O:13]>O1CCOCC1>[Br:1][C:2]1[CH:3]=[C:4]([CH2:8][CH:9]([NH:11][CH:12]=[O:13])[CH3:10])[CH:5]=[CH:6][CH:7]=1 | 2 |
C(C1=CC=2OCOC2C=C1)O.N1(C(=O)N=C(N)C=C1)CC(=O)O>>C(C)OC(CN1C(=O)N=C(NC(=O)OCC2=CC=3OCOC3C=C2)C=C1)=O | 5 |
C(C1=CC=CC=C1)OCCOC1=CC(=NC=N1)NC1=CC=C(C(=O)NC2=NC(=NS2)C2=CC(=C(C=C2)F)C(F)(F)F)C=C1>>FC1=C(C=C(C=C1)C1=NSC(=N1)NC(C1=CC=C(C=C1)NC1=NC=NC(=C1)OCCO)=O)C(F)(F)F | 5 |
ClC=1C=CC2=C(C=C(C(O2)C(F)(F)F)C(=O)OCC)C1>>ClC=1C=CC2=C(C=C(C(O2)C(F)(F)F)C(=O)O)C1 | 5 |
[CH3:1][C:2]1[N:3]=[C:4]([NH:7][C:8]2[N:13]=[CH:12][C:11]([S:14][C:15]3[CH:16]=[C:17]([OH:21])[CH:18]=[CH:19][CH:20]=3)=[CH:10][C:9]=2[O:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[S:5][CH:6]=1.C(=O)([O-])[O-].[K+].[K+].Cl.Cl[CH2:37][CH2:38][N:39]1[CH2:44][CH2:43][CH2:42][CH2:41][CH2:40]1.CN(C=O)C>O>[CH3:1][C:2]1[N:3]=[C:4]([NH:7][C:8]2[C:9]([O:22][C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:10][C:11]([S:14][C:15]3[CH:20]=[CH:19][CH:18]=[C:17]([O:21][CH2:37][CH2:38][N:39]4[CH2:44][CH2:43][CH2:42][CH2:41][CH2:40]4)[CH:16]=3)=[CH:12][N:13]=2)[S:5][CH:6]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([N+:16]([O-])=O)[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=1>CO.[Pt]>[Cl:1][C:2]1[CH:3]=[C:4]([NH2:16])[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=1 | 1 |
[NH4+]=[S:2].C(O)C.[CH2:6]([N:10]1[C:14]([C:15]#[N:16])=[C:13]([CH2:17][OH:18])[N:12]=[C:11]1[N:19]1[CH2:24][CH2:23][N:22]([C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[CH2:21][CH2:20]1)[C:7]#[C:8][CH3:9]>C(OCC)(=O)C>[CH2:6]([N:10]1[C:14]([C:15](=[S:2])[NH2:16])=[C:13]([CH2:17][OH:18])[N:12]=[C:11]1[N:19]1[CH2:20][CH2:21][N:22]([C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[CH2:23][CH2:24]1)[C:7]#[C:8][CH3:9] | 1 |
[C:1](Cl)(=[O:4])[CH:2]=[CH2:3].[CH3:6][N:7]([CH3:39])[C@H:8]1[CH2:12][CH2:11][N:10]([C:13]2[CH:18]=[C:17]([O:19][CH3:20])[C:16]([NH:21][C:22]3[N:27]=[C:26]([C:28]4[C:36]5[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=5)[N:30]([CH3:37])[CH:29]=4)[CH:25]=[CH:24][N:23]=3)=[CH:15][C:14]=2[NH2:38])[CH2:9]1>C(Cl)Cl>[CH3:39][N:7]([CH3:6])[C@H:8]1[CH2:12][CH2:11][N:10]([C:13]2[CH:18]=[C:17]([O:19][CH3:20])[C:16]([NH:21][C:22]3[N:27]=[C:26]([C:28]4[C:36]5[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=5)[N:30]([CH3:37])[CH:29]=4)[CH:25]=[CH:24][N:23]=3)=[CH:15][C:14]=2[NH:38][C:1](=[O:4])[CH:2]=[CH2:3])[CH2:9]1 | 1 |
[CH3:1][C:2]1[C:7]2=[N:8][CH:9]=[C:10]([C:13]3[N-:14][N:15]=[N:16][N:17]=3)[C:11](=[O:12])[N:6]2[CH:5]=[CH:4][CH:3]=1.[K+].C(O)(=O)C>O.C1COCC1>[CH3:1][C:2]1[C:7]2=[N:8][CH:9]=[C:10]([C:13]3[NH:14][N:15]=[N:16][N:17]=3)[C:11](=[O:12])[N:6]2[CH:5]=[CH:4][CH:3]=1 | 1 |
C(C)OC(C=1OC2=C(C1)C=CC(=C2)C(=O)OC)OCC>O.CO[H].[OH-].[Na+]>C(C)OC(C=1OC2=C(C1)C=CC(=C2)C(=O)O)OCC | 3 |
C[O:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[CH:16]=[C:15]([Cl:17])[C:14]([CH2:18][C@@H:19]3[CH2:23][CH2:22][N:21]([C@H:24]4[CH2:29][CH2:28][C@@H:27]([O:30][Si:31]([CH:38]([CH3:40])[CH3:39])([CH:35]([CH3:37])[CH3:36])[CH:32]([CH3:34])[CH3:33])[CH2:26][CH2:25]4)[C:20]3=[O:41])=[C:13](Cl)[CH:12]=2)=[CH:7][CH:6]=1)=[O:4].C1COCC1.[OH-].[Li+].[ClH:50]>O.CO>[Cl:50][C:6]1[CH:7]=[C:8]([C:11]2[CH:16]=[C:15]([Cl:17])[C:14]([CH2:18][C@@H:19]3[CH2:23][CH2:22][N:21]([C@H:24]4[CH2:29][CH2:28][C@@H:27]([O:30][Si:31]([CH:38]([CH3:40])[CH3:39])([CH:32]([CH3:33])[CH3:34])[CH:35]([CH3:36])[CH3:37])[CH2:26][CH2:25]4)[C:20]3=[O:41])=[CH:13][CH:12]=2)[CH:9]=[CH:10][C:5]=1[C:3]([OH:2])=[O:4] | 1 |
[Cl:1][S:2]([OH:5])(=O)=[O:3].C[O:7][C:8]([C:10]1[CH:19]=[CH:18][C:13]2[NH:14][C:15](=[O:17])[NH:16][C:12]=2[CH:11]=1)=[O:9].CO>O>[Cl:1][S:2]([C:18]1[C:13]2[NH:14][C:15](=[O:17])[NH:16][C:12]=2[CH:11]=[C:10]([C:8]([OH:9])=[O:7])[CH:19]=1)(=[O:5])=[O:3] | 2 |
Br[C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[NH:9][CH:8]=[CH:7]2.[F:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1B(O)O>>[F:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[NH:9][CH:8]=[CH:7]2 | 1 |
COC=1C(C(C1OC)=O)=O.NC=1C(=C(C=CC1)C(=O)N1CCOCC1)O>CO[H]>OC1=C(C=CC=C1C(=O)N1CCOCC1)NC=1C(C(C1OC)=O)=O | 3 |
C(CC)S(=O)(=O)Cl.C(C)(C)(C)C1=CC(=NO1)NC(=O)[C@H]1NCC1>N(C)(C)C=O.Cl.C(C)(C)N(C(C)C)CC>C(C)(C)(C)C1=CC(=NO1)NC(=O)[C@H]1N(CC1)S(=O)(=O)CCC | 3 |
[C:1](O[BH-](OC(=O)C)OC(=O)C)(=O)[CH3:2].[Na+].[CH:15]1([C@H:21]([NH:29][C:30]([C:32]2[CH:37]=[CH:36][C:35]([C:38]3[CH:43]=[CH:42][C:41](C=O)=[CH:40][CH:39]=3)=[CH:34][C:33]=2[NH:46][C:47]([NH:49][C:50]2[C:55]([CH3:56])=[CH:54][C:53]([CH3:57])=[CH:52][C:51]=2[CH3:58])=[O:48])=[O:31])[C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]1.N1[CH2:64][CH2:63][O:62][CH2:61][CH2:60]1>ClCCCl.C(OCC)(=O)C>[CH:15]1([C@H:21]([NH:29][C:30]([C:32]2[CH:37]=[CH:36][C:35]([C:38]3[CH:43]=[CH:42][C:41]([CH2:1][CH:2]4[CH2:64][CH2:63][O:62][CH2:61][CH2:60]4)=[CH:40][CH:39]=3)=[CH:34][C:33]=2[NH:46][C:47]([NH:49][C:50]2[C:55]([CH3:56])=[CH:54][C:53]([CH3:57])=[CH:52][C:51]=2[CH3:58])=[O:48])=[O:31])[C:22]([O:24][C:25]([CH3:26])([CH3:28])[CH3:27])=[O:23])[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]1 | 2 |
[Si:1]([O:8][CH:9]([CH:32]1[CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]1)/[CH:10]=[CH:11]/[CH:12]1[CH2:19][CH2:18][CH:17]2[CH:13]1[CH2:14][CH:15]([C:21]([OH:31])([CH2:23][CH2:24][CH2:25][C:26]([O:28][CH2:29][CH3:30])=[O:27])[CH3:22])[C:16]2=[O:20])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[CH3:38]S(Cl)(=O)=O.C(N(CC)CC)C.N12CCCN=C1CCCCC2>C1C=CC=CC=1.O>[Si:1]([O:8][CH:9]([CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1)/[CH:10]=[CH:11]/[CH:12]1[CH2:19][CH2:18][CH:17]2[CH:13]1[CH2:14][CH:15]([C:21]1([OH:31])[CH2:22][CH2:38][CH:25]([C:26]([O:28][CH2:29][CH3:30])=[O:27])[CH2:24][CH2:23]1)[C:16]2=[O:20])([C:4]([CH3:5])([CH3:6])[CH3:7])([CH3:3])[CH3:2].[CH:17]12[CH2:18][CH2:19][CH2:12][CH:13]1[CH2:14][CH2:15][C:16]2=[O:20] | 1 |
[CH3:1][N:2]([CH3:12])[C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([N+:9]([O-])=O)[CH:4]=1>CC(O)=O.[Fe]>[CH3:1][N:2]([CH3:12])[C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([NH2:9])[CH:4]=1 | 2 |
Br[C:2]1[C:3]([CH3:13])=[C:4]([CH2:11][CH3:12])[C:5]([O:9][CH3:10])=[N:6][C:7]=1[CH3:8].[C:14]([C:16]1[CH:17]=[C:18](B(O)O)[CH:19]=[CH:20][CH:21]=1)#[N:15].C(=O)([O-])[O-].[Na+].[Na+].C1(C)C=CC=CC=1>C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Pd].CO>[CH2:11]([C:4]1[C:3]([CH3:13])=[C:2]([C:20]2[CH:21]=[C:16]([CH:17]=[CH:18][CH:19]=2)[C:14]#[N:15])[C:7]([CH3:8])=[N:6][C:5]=1[O:9][CH3:10])[CH3:12] | 1 |
[CH2:1]([N:3]1[CH:7]=[C:6]([S:8](Cl)(=[O:10])=[O:9])[N:5]=[CH:4]1)[CH3:2].[OH2:12]>>[CH2:1]([N:3]1[CH:7]=[C:6]([S:8]([OH:10])(=[O:12])=[O:9])[N:5]=[CH:4]1)[CH3:2] | 1 |
C(C1=CC=CC=C1)(=O)C=1C=NC(=NC1)N1CCN(CC1)C1=NC(=NC=N1)NC=1C=NN(C1)C[C@@H]1CN(CCO1)C(=O)OC(C)(C)C>Cl.O1CCOCC1>N1CC(OCC1)CN1N=CC(=C1)NC1=NC(=NC=N1)N1CCN(CC1)C1=NC=C(C=N1)[C@@H](O)C1=CC=CC=C1 | 3 |
ClC1=NC=C(C=N1)NC(=O)N[C@@H](C(C)C)C=1OC2=C(C1C)C=C(C=C2)F>O.Cl.[OH-].[Na+].O1CCOCC1>FC=1C=CC2=C(C(=C(O2)[C@H](C(C)C)NC(=O)NC=2C=NC(=NC2)O)C)C1 | 3 |
ClCC(=O)O.CC1(CC=CC1)CO>>CC1(CC=CC1)COCC(=O)O | 5 |
FC1=C(C(C(=O)O)=CC=C1)C(=O)O>C(C)(=O)OC(C)=O>FC1=C2C(NC(C2=CC=C1)=O)=O | 3 |
ClC1=C(C=CC=C1C1=C(C(=CC=C1)B1OC(C(O1)(C)C)(C)C)Cl)C1=CC=C(C(=N1)OC)C=O.ClC=1C=C2C(=NC1)OC(=C2)C=O>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C=CC=C1C=1C=C2C(=NC1)OC(=C2)C=O)C2=C(C(=CC=C2)C2=NC(=C(C=C2)C=O)OC)Cl | 3 |
CN(C1=CC=C(C=C1)C=1C=C2C(=NC1)N(C=C2)COCC[Si](C)(C)C)C>>BrC1=CN(C2=NC=C(C=C21)C2=CC=C(C=C2)N(C)C)COCC[Si](C)(C)C | 5 |
[Cl:1][C:2]1[CH:37]=[C:36]([CH3:38])[CH:35]=[CH:34][C:3]=1[CH2:4][C:5]1[CH:13]=[C:12]2[C:8]([C:9]([CH2:24][N:25](C)[C:26](=O)OC(C)(C)C)=[CH:10][N:11]2[S:14]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=2)(=[O:16])=[O:15])=[CH:7][CH:6]=1.Cl.C(OC(=O)C)C>>[Cl:1][C:2]1[CH:37]=[C:36]([CH3:38])[CH:35]=[CH:34][C:3]=1[CH2:4][C:5]1[CH:13]=[C:12]2[C:8]([C:9]([CH2:24][NH:25][CH3:26])=[CH:10][N:11]2[S:14]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=2)(=[O:16])=[O:15])=[CH:7][CH:6]=1 | 2 |
Cl[C:2]1[CH:3]=[C:4]2[C:13](=[CH:14][N:15]=1)[C:12]1[N:8]([CH:9]=[C:10]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=3)[N:11]=1)[CH2:7][CH2:6][O:5]2.[NH:22]1[CH2:26][CH2:25][CH2:24][CH:23]1[CH2:27][N:28]1[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]1>CN1C(=O)CCC1>[N:28]1([CH2:27][CH:23]2[CH2:24][CH2:25][CH2:26][N:22]2[C:2]2[N:15]=[CH:14][C:13]3[C:12]4[N:8]([CH:9]=[C:10]([C:16]5[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=5)[N:11]=4)[CH2:7][CH2:6][O:5][C:4]=3[CH:3]=2)[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]1 | 1 |
[CH3:1][C:2]1([CH3:9])[O:7][CH2:6][C:5](=O)[CH2:4][O:3]1.FC(F)(F)C(O)=O.[CH3:17][CH:18]([O:20][C:21]1[C:26]([C:27]#[N:28])=[CH:25][C:24]([C:29]2[O:33][N:32]=[C:31]([C:34]3[C:35]([CH3:44])=[C:36]4[C:41](=[CH:42][CH:43]=3)[CH2:40][NH:39][CH2:38][CH2:37]4)[N:30]=2)=[CH:23][N:22]=1)[CH3:19].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)([O-])O.[Na+]>ClCCCl.C1COCC1>[CH3:9][C:2]1([CH3:1])[O:3][CH2:4][CH:5]([N:39]2[CH2:38][CH2:37][C:36]3[C:41](=[CH:42][CH:43]=[C:34]([C:31]4[N:30]=[C:29]([C:24]5[CH:25]=[C:26]([C:27]#[N:28])[C:21]([O:20][CH:18]([CH3:19])[CH3:17])=[N:22][CH:23]=5)[O:33][N:32]=4)[C:35]=3[CH3:44])[CH2:40]2)[CH2:6][O:7]1 | 2 |
[C:1]([C:9]1[NH:10][CH:11]=[CH:12][CH:13]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:14]([O:22][CH2:23][CH3:24])(=[O:21])[CH2:15][C:16]([O:18][CH2:19][CH3:20])=[O:17].[C:25]([O-:28])(=[O:27])[CH3:26].[Na+]>C(O)(=O)C.C(OCC)C.O.O.C([O-])(=O)C.[Mn+3].C([O-])(=O)C.C([O-])(=O)C>[C:1]([C:9]1[NH:10][C:11]([CH2:26][C:25]([O:28][CH:15]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[C:14]([O:22][CH2:23][CH3:24])=[O:21])=[O:27])=[CH:12][CH:13]=1)(=[O:8])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
ClC1=C(C(=O)O)C=CC(=C1)[N+](=O)[O-]>C1=CC=CC=C1.ClC1=CC=CC=C1>ClC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)C1=CC=C(C=C1)Cl | 3 |
OC1=CC=C(C(=O)N)C=C1.C(#N)C=1C=C2C(CCOC2=CC1F)C(=O)OC(C)(C)C>C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.CN1C(CCC1)=O>C(N)(=O)C1=CC=C(OC2=C(C=C3C(CCOC3=C2)C(=O)OC(C)(C)C)C#N)C=C1 | 3 |
[Br-].C[Mg+].C(C)(=O)C1=CC=C(C(=O)N2[C@H](C[C@H](C3=CC=CC=C23)N(C(C)=O)C2=CC=C(C=C2)Cl)C)C=C1>C1CCCO1>ClC1=CC=C(C=C1)N(C(C)=O)[C@@H]1C[C@@H](N(C2=CC=CC=C12)C(C1=CC=C(C=C1)C(C)(C)O)=O)C | 3 |
[NH2:1][C:2]1[CH:17]=[C:16]([F:18])[C:15]([F:19])=[CH:14][C:3]=1[C:4]([NH:6][C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=1[Cl:13])=[O:5].[Cl:20][CH2:21][C:22](Cl)=O>C(O)(=O)C>[Cl:20][CH2:21][C:22]1[N:6]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][C:8]=2[Cl:13])[C:4](=[O:5])[C:3]2[C:2](=[CH:17][C:16]([F:18])=[C:15]([F:19])[CH:14]=2)[N:1]=1 | 1 |
ClC1=CC=NC2=CC(=C(C=C12)OC)OC.OC=1C(=NC(=CC1)C)[N+](=O)[O-]>>COC=1C=C2C(=CC=NC2=CC1OC)OC=1C(=NC(=CC1)C)[N+](=O)[O-] | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[C:9]([CH:10]=1)=[N:8][N:7]([CH2:11][C:12]([NH:16][C:17](=[O:29])[C:18]1[CH:23]=[CH:22][C:21]([O:24][C:25]([F:28])([F:27])[F:26])=[CH:20][CH:19]=1)([C:14]#[N:15])[CH3:13])[CH:6]=2.[Br:30]N1C(=O)CCC1=O>C(#N)C.O>[Br:30][C:6]1[N:7]([CH2:11][C:12]([NH:16][C:17](=[O:29])[C:18]2[CH:23]=[CH:22][C:21]([O:24][C:25]([F:26])([F:27])[F:28])=[CH:20][CH:19]=2)([C:14]#[N:15])[CH3:13])[N:8]=[C:9]2[C:5]=1[CH:4]=[CH:3][C:2]([Cl:1])=[CH:10]2 | 1 |
[H-].[Na+].[N:3]1([C:8]2[CH:13]=[CH:12][C:11]([OH:14])=[CH:10][CH:9]=2)[CH:7]=[CH:6][N:5]=[CH:4]1.[ClH:15].[CH2:16]([NH:23][CH2:24][CH2:25][Cl:26])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.O>CN(C=O)C>[ClH:26].[ClH:15].[N:3]1([C:8]2[CH:13]=[CH:12][C:11]([O:14][CH2:25][CH2:24][NH:23][CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[CH:10][CH:9]=2)[CH:7]=[CH:6][N:5]=[CH:4]1 | 1 |
[CH3:1][C:2]1[S:3][C:4]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[C:5]([C:7]([OH:9])=O)[N:6]=1.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.[F:47][C:48]1[CH:49]=[CH:50][C:51]2[N:52]([CH:54]=[C:55]([CH2:57][C@@H:58]3[CH2:63][CH2:62][CH2:61][CH2:60][NH:59]3)[N:56]=2)[CH:53]=1>CN(C=O)C.[Cl-].[Na+].O>[F:47][C:48]1[CH:49]=[CH:50][C:51]2[N:52]([CH:54]=[C:55]([CH2:57][C@@H:58]3[CH2:63][CH2:62][CH2:61][CH2:60][N:59]3[C:7]([C:5]3[N:6]=[C:2]([CH3:1])[S:3][C:4]=3[C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=3)=[O:9])[N:56]=2)[CH:53]=1 | 2 |
[NH2:1][C:2]1[N:10]=[C:9]([O:11][CH3:12])[N:8]=[C:7]2[C:3]=1[N:4]=[C:5](Br)[N:6]2[CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[OH-:21].[Na+].[CH3:23]O>>[NH2:1][C:2]1[N:10]=[C:9]([O:11][CH3:12])[N:8]=[C:7]2[C:3]=1[N:4]=[C:5]([O:21][CH3:23])[N:6]2[CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1 | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.