smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
O1C(C1)CN1C2=C(CCC3=C1C=CC=C3)C=CC=C2>O.CCO[H].[N-]=[N+]=[N-].[Na+].[Cl-].[NH4+]>N(=[N+]=[N-])CC(CN1C2=C(CCC3=C1C=CC=C3)C=CC=C2)O | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:33])[CH3:32])[C:15](=[O:30])[C:16]2[CH:21]=[CH:20][C:19](OC)=[C:18](OCCCOC)[CH:17]=2)[C@H:10]([C:34](C)(C)[O:35][SiH2]C(C)(C)C)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].O.[F-].C([N+:47]([CH2:52][CH3:53])([CH2:50][CH3:51])CC)C.O.C[CH2:56][O:57][C:58](C)=O.[CH3:61]C#N>>[C:1]([O:5][C:6]([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:33])[CH3:32])[C:15]([C:16]2[CH:17]=[C:18]3[C:19]([C:53]([CH3:61])=[CH:52][N:47]3[CH2:50][CH2:51][CH2:56][O:57][CH3:58])=[CH:20][CH:21]=2)=[O:30])[C@H:10]([CH2:34][OH:35])[CH2:9]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
C(N(CC)CC)C.Br[C:9]1[CH:10]=[C:11]2[CH:17]=[CH:16][NH:15][C:12]2=[N:13][CH:14]=1.[C:18]1([C:24]#[CH:25])[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>O1CCOCC1.[Cu]I>[C:18]1([C:24]#[C:25][C:9]2[CH:10]=[C:11]3[CH:17]=[CH:16][NH:15][C:12]3=[N:13][CH:14]=2)[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 2 |
CON=C(C#N)C1=C(C=CC=C1)OC1=CC=CC=C1>C1(=CC=CC=C1)C.O.Cl.[OH-].[K+]>O(C1=CC=CC=C1)C1=C(C=CC=C1)C(C(=O)N)=NOC | 3 |
BrC1=CC2=C(C3=NC(=CN3CCO2)C=2N(N=C(N2)COC)C(C)C)C=C1>C([O-])([O-])=O.[Na+].[Na+].Br>BrC1=CC2=C(C3=NC(=CN3CCO2)C2=NC(=NN2C(C)C)CO)C=C1 | 3 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)NC=1SC=C(N1)C(C(=O)NC1[C@@H]2N(C(=C(CS2)CSC=2SC=NN2)C(=O)O)C1=O)=NOC(F)F>O.C(C)(=O)OCC.C(O)([O-])=O.[Na+].C(=O)O>NC=1SC=C(N1)C(C(=O)NC1[C@@H]2N(C(=C(CS2)CSC=2SC=NN2)C(=O)O)C1=O)=NOC(F)F | 3 |
ClC=1C=C2C=CC(=CC2=CC1)S(=O)(=O)CCC(=O)N(C1CCN(CC1)C(=O)OC(C)(C)C)CCC(=O)OCC>>ClC=1C=C2C=CC(=CC2=CC1)S(=O)(=O)CCC(=O)N(C1CCN(CC1)C1=CC=NC=C1)CCC(=O)OCC | 5 |
N1C=NC2=C1C=CC=C2N2CC(NCC2)CC#N>CO[H].C=O.C(#N)[BH3-].[Na+]>N1C=NC2=C1C=CC=C2N2CC(N(CC2)C)CC#N | 3 |
[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[CH2:11][O:12][C:13]1[CH:14]=[C:15]([CH2:19][CH2:20][CH2:21][C:22]2[CH:29]=[CH:28][C:25]([C:26]#[N:27])=[CH:24][CH:23]=2)[CH:16]=[CH:17][CH:18]=1.[N-:30]=[N+:31]=[N-:32].[Na+].[Cl-].[NH4+].[OH-].[Na+]>CN(C)C=O>[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[CH2:11][O:12][C:13]1[CH:14]=[C:15]([CH2:19][CH2:20][CH2:21][C:22]2[CH:29]=[CH:28][C:25]([C:26]3[NH:32][N:31]=[N:30][N:27]=3)=[CH:24][CH:23]=2)[CH:16]=[CH:17][CH:18]=1 | 1 |
[Li]CCCC.CC1CCCN(C)C1(C)C.[Br:16][C:17]1[CH:18]=[CH:19][C:20]([C:24]([F:27])([F:26])[F:25])=[C:21]([CH3:23])[CH:22]=1.CN([CH:31]=[O:32])C>C1COCC1>[Br:16][C:17]1[CH:22]=[C:21]([CH3:23])[C:20]([C:24]([F:25])([F:26])[F:27])=[CH:19][C:18]=1[CH:31]=[O:32] | 2 |
COC1=C2C(=NC=C1)C1(CCOCC1)OC2>ClCCl.C([O-])([O-])=O.[Na+].[Na+].ClC=1C=C(C(=O)OO)C=CC1.[O-]S(=O)[O-].[Na+].[Na+]>COC1=C2C(=[N+](C=C1)[O-])C1(CCOCC1)OC2 | 3 |
Cl[C:2]1[C:7]([N+:8]([O-:10])=[O:9])=[C:6]([NH:11][CH2:12][C:13]([NH:16][C:17](=[O:23])[O:18][C:19]([CH3:22])([CH3:21])[CH3:20])([CH3:15])[CH3:14])[C:5]([CH3:24])=[C:4]([CH3:25])[N:3]=1.[N-:26]=[N+:27]=[N-:28].[Na+].O.O.O.O.O.O.O.[Cl-].[Ce+3].[Cl-].[Cl-]>>[CH3:25][C:4]1[N:3]2[N:26]=[N:27][N:28]=[C:2]2[C:7]([N+:8]([O-:10])=[O:9])=[C:6]([NH:11][CH2:12][C:13]([NH:16][C:17](=[O:23])[O:18][C:19]([CH3:22])([CH3:21])[CH3:20])([CH3:15])[CH3:14])[C:5]=1[CH3:24] | 2 |
[OH-].[Na+].C[O:4][C:5]([C:7]1[S:32][C:10]2[N:11]=[CH:12][N:13]=[C:14]([NH:15][C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][C:17]=3[O:23][C@H:24]3[CH2:29][CH2:28][CH2:27][CH2:26][C@@H:25]3[O:30][CH3:31])[C:9]=2[C:8]=1[CH3:33])=[O:6].Cl>CO.C1COCC1>[F:22][C:19]1[CH:20]=[CH:21][C:16]([NH:15][C:14]2[C:9]3[C:8]([CH3:33])=[C:7]([C:5]([OH:6])=[O:4])[S:32][C:10]=3[N:11]=[CH:12][N:13]=2)=[C:17]([O:23][C@H:24]2[CH2:29][CH2:28][CH2:27][CH2:26][C@@H:25]2[O:30][CH3:31])[CH:18]=1 | 1 |
OCC1=CC=C(C=C1)C=1OC=C(N1)C(=O)OCC>>OCC1=CC=C(C=C1)C=1OC=C(N1)C(=O)O | 5 |
[N+](=O)([O-])C1=C(C#N)C=CC(=C1)C1=CC=NN1C1OCCCC1>CCO[H].Cl>[N+](=O)([O-])C1=C(C#N)C=CC(=C1)C1=CC=NN1 | 3 |
ClC1=C(C(=CC=C1)Cl)C1=NN(C(N1)=O)C1=CC(=C(C(=O)OC)C=C1)OC>N(C)(C)C=O.[H-].[Na+].BrCC>ClC1=C(C(=CC=C1)Cl)C1=NN(C(N1CC)=O)C1=CC(=C(C(=O)OC)C=C1)OC | 3 |
O=C1CCN(CC1)C(=O)OCC1=CC=CC=C1>N(C)(C)C=O.CCN(CC)CC.Cl[Si](C)(C)C>C[Si](OC=1CCN(CC1)C(=O)OCC1=CC=CC=C1)(C)C | 3 |
C1(=CC=CC=C1)[C@@H](CC1=CC=C(C=C1)Cl)C>>C1(=CC=CC=C1)[C@@H](CC1=CC=C(C=C1)I)C | 5 |
FC1=C(C(=O)OC)C=CC=C1[N+](=O)[O-].NCC(CCCNC(OC(C)(C)C)=O)C>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)NCCCC(CNC1=C(C(=O)OC)C=CC=C1[N+](=O)[O-])C | 3 |
[CH3:1][CH:2]([CH:14]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([O:23]C)=[C:19]([O:25]C)[CH:18]=1)[CH3:15])[CH2:3][C:4]1[CH:9]=[CH:8][C:7]([O:10]C)=[C:6]([O:12][CH3:13])[CH:5]=1.CC(C(CC1C=CC(O)=C(O)C=1)C)CC1C=CC(O)=C(O)C=1>>[CH3:15][C@@H:14]([C@H:2]([CH2:3][C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[C:6]([O:12][CH3:13])[CH:5]=1)[CH3:1])[CH2:16][C:17]1[CH:22]=[CH:21][C:20]([OH:23])=[C:19]([OH:25])[CH:18]=1 | 2 |
O=C/1N(CCC\C1=C/C=1N=CN2C1CCC1=CC(=CC=C21)\C=C\C)C(=O)OC(C)(C)C>C1CCCO1.CO[H].[Pd]>O=C1N(CCCC1CC=1N=CN2C1CCC1=CC(=CC=C21)CCC)C(=O)OC(C)(C)C | 3 |
OC1CCC(NC1)=O.FC1=C(C#N)C=C(C=C1)C1=NC=NC(=N1)NC1=CC(=C(C=C1)N1CCN(CC1)C1COC1)OC>>COC=1C=C(C=CC1N1CCN(CC1)C1COC1)NC1=NC(=NC=N1)C=1C=CC(=C(C#N)C1)O[C@H]1CNC(CC1)=O | 5 |
[NH2:1][C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[N:9]=2)[NH:5][C:4](=[S:20])[N:3]=1.[OH-].[Na+].I[CH3:24].P([O-])(O)(O)=O.[Na+]>>[CH3:24][S:20][C:4]1[N:3]=[C:2]([NH2:1])[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[N:9]=2)[N:5]=1 | 2 |
C(OCC[Si](C)(C)C)Cl.BrC=1C=C2C(=NC1)NN=C2C(F)(F)F>O.C1CCCO1.[H-].[Na+]>BrC=1C=C2C(=NC1)N(N=C2C(F)(F)F)COCC[Si](C)(C)C | 3 |
[Si](Cl)(Cl)(Cl)Cl.[C@@H]1([C@H](O)[C@H](O)[C@@H](CO)O1)N1C(=O)N=C(N)C=C1>C(C)(=O)O>C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O | 3 |
C(=O)([O-])O.[Na+].Cl.[C:7](=N)(OCC)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.Cl.[CH3:19][O:20][C:21](=[O:27])[C@H:22]([C@@H:24]([CH3:26])[OH:25])[NH2:23]>C(OCC)C.O>[CH3:19][O:20][C:21]([C@@H:22]1[C@@H:24]([CH3:26])[O:25][C:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[N:23]1)=[O:27] | 2 |
COC1=C(N)C=CC=C1OC.C(C1=CC=CC=C1)OC(C(CC(C)=O)C(C1=CC=C(C=C1)OCC(=O)OCC)=O)=O>CCO[H].O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C1=CC=CC=C1)OC(=O)C1=C(N(C(=C1)C)C1=C(C(=CC=C1)OC)OC)C1=CC=C(C=C1)OCC(=O)OCC | 3 |
CC1(OB(OC1(C)C)C=1C=C(SC1)CO)C.ClC=1C(=NC=C(C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C1)N1C[C@@H](CC1)O>>OCC1=CC(=CS1)C=1C(=NC=C(C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C1)N1C[C@@H](CC1)O | 5 |
Cl.[Cl:2][C:3]1[C:11]2[C:6]([N:7]([CH2:12][C:13]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)=[O:14])[CH:8]=[CH:9][CH:10]=2)=[N:5][C:4]=1[CH3:21].[BH4-].[Na+]>CO>[Cl:2][C:3]1[C:11]2[C:6]([N:7]([CH2:12][CH:13]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[OH:14])[CH:8]=[CH:9][CH:10]=2)=[N:5][C:4]=1[CH3:21] | 1 |
CC1(OB(OC1(C)C)C1=C2C=NNC2=CC=C1)C.CC1CN(C(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C>O.ClCCl.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>N1N=CC2=C(C=CC=C12)C1=CCC(CN1C(=O)OC(C)(C)C)C | 3 |
ClC(Cl)(Cl)CO[C:5]([NH:7][C:8]1[N:12]([C:13]2[CH:18]=[CH:17][C:16]([CH3:19])=[CH:15][CH:14]=2)[N:11]=[C:10]([C:20]([CH3:23])([CH3:22])[CH3:21])[CH:9]=1)=[O:6].[NH2:26][C:27]1[C:36]2[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=2)[C:30]([O:37][CH2:38][CH2:39][CH2:40][C:41]2[CH:46]=[CH:45][N:44]=[CH:43][CH:42]=2)=[CH:29][CH:28]=1.C(N(C(C)C)CC)(C)C.CS(C)=O>C(OCC)(=O)C>[C:20]([C:10]1[CH:9]=[C:8]([NH:7][C:5]([NH:26][C:27]2[C:36]3[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=3)[C:30]([O:37][CH2:38][CH2:39][CH2:40][C:41]3[CH:46]=[CH:45][N:44]=[CH:43][CH:42]=3)=[CH:29][CH:28]=2)=[O:6])[N:12]([C:13]2[CH:14]=[CH:15][C:16]([CH3:19])=[CH:17][CH:18]=2)[N:11]=1)([CH3:22])([CH3:23])[CH3:21] | 1 |
NC=1C=C(N(C1)C)C(=O)OC.CN1C(=CC(=C1)NC(=O)OC(C)(C)C)C(=O)O>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>C(C)(C)(C)OC(=O)NC=1C=C(N(C1)C)C(=O)NC=1C=C(N(C1)C)C(=O)OC | 3 |
[OH:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]1[CH:23]=[CH:22][CH:21]=[C:20]2[C:9]=1[C:10](=[O:24])[C:11]1[C:19]3[C:18]2=[N:17][NH:16][C:15]=3[CH:14]=[CH:13][CH:12]=1.[CH:25]1[C:30](O)=[CH:29][CH:28]=[C:27]([CH3:32])[CH:26]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(OC(/N=N/C(OC(C)C)=O)=O)C>C1COCC1>[C:27]1([CH3:32])[CH:28]=[CH:29][C:30]([O:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]2[CH:23]=[CH:22][CH:21]=[C:20]3[C:9]=2[C:10](=[O:24])[C:11]2[C:19]4[C:18]3=[N:17][NH:16][C:15]=4[CH:14]=[CH:13][CH:12]=2)=[CH:25][CH:26]=1 | 2 |
OC1CCN(CC1)CC1=CC=CC=C1.C=1(C(=CC=CC1)C(=O)Cl)C>C1(=CC=CC=C1)C.CCN(CC)CC>CC1=C(C(=O)OC2CCN(CC2)CC2=CC=CC=C2)C=CC=C1 | 3 |
[CH2:1]([C:5]1[N:10]2[N:11]=[CH:12][N:13]=[C:9]2[NH:8][C:7](=[O:14])[C:6]=1[CH2:15][C:16]1[CH:21]=[CH:20][C:19]([C:22]2[C:23]([C:28]#[N:29])=[CH:24][CH:25]=[CH:26][CH:27]=2)=[CH:18][CH:17]=1)[CH2:2][CH2:3][CH3:4].[F:30][C:31]1[CH:32]=[C:33](B(O)O)[CH:34]=[CH:35][C:36]=1[O:37][CH3:38].C(N(CC)CC)C.N1C=CC=CC=1>ClCCl.C(OCC)(=O)C.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[CH2:1]([C:5]1[N:10]2[N:11]=[CH:12][N:13]=[C:9]2[N:8]([C:33]2[CH:34]=[CH:35][C:36]([O:37][CH3:38])=[C:31]([F:30])[CH:32]=2)[C:7](=[O:14])[C:6]=1[CH2:15][C:16]1[CH:21]=[CH:20][C:19]([C:22]2[C:23]([C:28]#[N:29])=[CH:24][CH:25]=[CH:26][CH:27]=2)=[CH:18][CH:17]=1)[CH2:2][CH2:3][CH3:4] | 1 |
CI.BrC1=CC=CC2=CC=CC(=C12)Br>C1CCCO1.C(CCC)[Li].C(C)(C)O>BrC1=CC=CC2=CC=CC(=C12)C | 3 |
NC1=NC=CC=C1.ClC1=NC=CC(=N1)CC(=O)C=1C=CC(=C(C(=O)NC2=C(C=CC=C2F)F)C1)OC.ClC1=NC=CC(=N1)/C=C(/O)\C=1C=CC(=C(C(=O)NC2=C(C=CC=C2F)F)C1)OC>ClCCl.BrN1C(CCC1=O)=O>ClC1=NC=CC(=N1)C1=C(N=C2N1C=CC=C2)C=2C=CC(=C(C(=O)NC1=C(C=CC=C1F)F)C2)OC | 3 |
CN1CCN(CC1)CCCOC1=CC=C(CCNC(OC(C)(C)C)=O)C=C1>ClCCl.C(=O)(C(F)(F)F)O>CN1CCN(CC1)CCCOC1=CC=C(C=C1)CCN | 3 |
COC1=CC=C(C=C1)C(OCC[C@@H](C#C\C=C/C#C[C@H](C\C=C/CC)O[Si](C)(C)C(C)(C)C)O)(C1=CC=CC=C1)C1=CC=C(C=C1)OC>O.C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>COC1=CC=C(C=C1)C(OCC[C@@H](C#C\C=C/C#C[C@H](C\C=C/CC)O)O)(C1=CC=CC=C1)C1=CC=C(C=C1)OC | 3 |
BrC/C=C/C(=O)OCC.Cl.O1CCO[C@H]2[C@@H]1CNC2>ClCCl.C(C)(C)N(C(C)C)CC>O1CCO[C@H]2[C@@H]1CN(C2)C/C=C/C(=O)OCC | 3 |
COC1=CC=C(O[C@@H]2O[C@H]([C@@H]([C@@H]3[C@H]2OC(O3)(C)C)OCC3=CC=CC=C3)C)C=C1>CO[H].Cl>C(C1=CC=CC=C1)O[C@@H]1[C@H]([C@H]([C@H](OC2=CC=C(C=C2)OC)O[C@H]1C)O)O | 3 |
[F:1][C:2]1[CH:3]=[C:4]([CH:15]=[CH:16][C:17]=1[F:18])[NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[N+:12]([O-])=O>C(OCC)(=O)C.CO.[Pd]>[F:1][C:2]1[CH:3]=[C:4]([NH:5][C:6]2[C:7]([NH2:12])=[CH:8][CH:9]=[CH:10][CH:11]=2)[CH:15]=[CH:16][C:17]=1[F:18] | 1 |
C(#N)CC=1C=C(C#N)C=C(C1)C.ClC1=C(C(N(C(N1CC)=O)COC)=O)C(C)C>>C(#N)C(C=1C=C(C#N)C=C(C1)C)C=1N(C(N(C(C1C(C)C)=O)COC)=O)CC | 5 |
CCCCCC.C([Li])CCC.C(NC(C)C)(C)C.[Cl:19][C:20]1[CH:21]=[CH:22][C:23]([N:26]2[Si](C)(C)CC[Si]2(C)C)=[N:24][CH:25]=1.[F:35][C:36]1[CH:43]=[CH:42][C:41]([F:44])=[CH:40][C:37]=1[CH:38]=[O:39].Cl.[OH-].[Na+]>O1CCCC1>[NH2:26][C:23]1[CH:22]=[C:21]([CH:38]([C:37]2[CH:40]=[C:41]([F:44])[CH:42]=[CH:43][C:36]=2[F:35])[OH:39])[C:20]([Cl:19])=[CH:25][N:24]=1 | 1 |
COC(C1=C(C=C(C=C1)I)OC)=O>C1CCCO1.CC(C)C[AlH]CC(C)C.[Cl-].[NH4+]>IC1=CC(=C(C=C1)CO)OC | 3 |
[ClH:1].[NH2:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][C:10]([OH:12])=[O:11])=[C:5]([O:13][CH2:14][C:15]([F:18])([F:17])[F:16])[CH:4]=1.Cl.[CH3:20]O>>[ClH:1].[NH2:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][C:10]([O:12][CH3:20])=[O:11])=[C:5]([O:13][CH2:14][C:15]([F:16])([F:17])[F:18])[CH:4]=1 | 1 |
[Si](C)(C)(C(C)(C)C)OCC1(CC=2N(CCS1)C(=NN2)C2=C(C=C(C=C2)C2=CC=CC=C2)Cl)C>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC=1C=C(C=CC1C1=NN=C2N1CCSC(C2)(C)CO)C2=CC=CC=C2 | 3 |
[N+](=O)([O-])C1=C(C(=CC=C1)OCC1OC1)N>N(C)(C)C=O.[H-].[Na+]>[N+](=O)([O-])C1=CC=CC2=C1NC(CO2)CO | 3 |
CS(=O)(=O)Cl.OCCC=1OC2=C(C1)C=C(C=C2)C=2C=C(C#N)C=CC2>ClCCl.CCN(CC)CC>CS(=O)(=O)OCCC=1OC2=C(C1)C=C(C=C2)C2=CC(=CC=C2)C#N | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CC=C(C=C1)N.ClC=1C(=NC=C(N1)N1CCCCC1)C#N>O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>C(#N)C=1C(=NC(=CN1)N1CCCCC1)NC1=CC=C(C=C1)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
FC=1C=CC(=C(C1)NC1=CC=CC=C1)[N+](=O)[O-]>>FC=1C=C(C(=CC1)N)NC1=CC=CC=C1 | 5 |
[F:1][C:2]([F:16])([F:15])[C:3]1[CH:4]=[C:5]([CH:8]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:10]=1)[CH:6]=O.[NH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.[BH4-].[Na+]>C1(C)C=CC=CC=1>[F:1][C:2]([F:16])([F:15])[C:3]1[CH:4]=[C:5]([CH:8]=[C:9]([C:11]([F:14])([F:13])[F:12])[CH:10]=1)[CH2:6][NH:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 2 |
C([O:4][C@H:5]1[CH2:30][CH2:29][C@@:28]2([CH3:31])[C:7](=[CH:8][CH2:9][C@@H:10]3[C@@H:27]2[CH2:26][CH2:25][C@@:24]2([CH3:32])[C@H:11]3[CH2:12][CH2:13][C@@H:14]2[C@H:15]([CH3:23])[CH2:16][CH2:17][C:18](=[O:22])[CH:19]([CH3:21])[CH3:20])[CH2:6]1)(=O)C.[OH-].[K+].O>CO.C1C=CC=CC=1>[OH:4][C@H:5]1[CH2:30][CH2:29][C@@:28]2([CH3:31])[C:7](=[CH:8][CH2:9][C@@H:10]3[C@@H:27]2[CH2:26][CH2:25][C@@:24]2([CH3:32])[C@H:11]3[CH2:12][CH2:13][C@@H:14]2[C@H:15]([CH3:23])[CH2:16][CH2:17][C:18](=[O:22])[CH:19]([CH3:21])[CH3:20])[CH2:6]1 | 1 |
N[C@H]1CN(CC[C@H]1NC1=C2C=C(N(C2=CC=C1)CC(F)(F)F)C1=NN=C(S1)CNC(OC(C)(C)C)=O)C>>NCC1=NN=C(S1)C=1N(C=2C=CC=C(C2C1)N[C@H]1[C@H](CN(CC1)C)F)CC(F)(F)F | 5 |
[CH2:1]([O:3][C:4]1[C:5]([N+:23]([O-])=O)=[CH:6][C:7]([CH3:22])=[C:8]([N:10]2[CH2:15][CH2:14][CH:13]([CH2:16][CH2:17][S:18]([CH3:21])(=[O:20])=[O:19])[CH2:12][CH2:11]2)[CH:9]=1)[CH3:2]>CCOC(C)=O.CO.[Pt]>[CH2:1]([O:3][C:4]1[CH:9]=[C:8]([N:10]2[CH2:11][CH2:12][CH:13]([CH2:16][CH2:17][S:18]([CH3:21])(=[O:20])=[O:19])[CH2:14][CH2:15]2)[C:7]([CH3:22])=[CH:6][C:5]=1[NH2:23])[CH3:2] | 1 |
NC1=C(C=CC(=C1)SC1=CC=C(C=C1)C)[N+](=O)[O-]>C([O-])(O)=O.[K+].C(Cl)(Cl)(Cl)[H].Cl.C(C)(=O)O.[Sn](Cl)Cl>NC1=C(C=C(C=C1)SC1=CC=C(C=C1)C)N | 3 |
C1(CC1)C(=O)Cl.CC1=NC(=CC=C1OC1=CC(=NC=C1)NC1=CC(=CC=C1)CN1CCNCC1)C>ClCCl.C(C)(C)N(C(C)C)CC>C1(CC1)C(=O)N1CCN(CC1)CC=1C=C(C=CC1)NC1=NC=CC(=C1)OC=1C(=NC(=CC1)C)C | 3 |
BrC=1C=C(C(=O)N(C)C)C=CC1>>BrC=1C=C(C=CC1)C(=O)C1=CC=CC=C1 | 5 |
FC1=C(C=CC(=C1)[N+](=O)[O-])CO>>NC1=CC(=C(C=C1)CO)F | 5 |
Cl[CH2:2][C:3]1[CH:21]=[CH:20][C:6]([O:7][CH2:8][C:9]2[N:10]=[C:11]([C:15]3[O:16][CH:17]=[CH:18][CH:19]=3)[O:12][C:13]=2[CH3:14])=[CH:5][CH:4]=1.[OH:22][C:23]1[C:27]([CH:28]=[O:29])=[CH:26][N:25]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)[N:24]=1.C(=O)([O-])[O-].[K+].[K+].CN(C)C=O>O>[O:16]1[CH:17]=[CH:18][CH:19]=[C:15]1[C:11]1[O:12][C:13]([CH3:14])=[C:9]([CH2:8][O:7][C:6]2[CH:20]=[CH:21][C:3]([CH2:2][O:22][C:23]3[C:27]([CH:28]=[O:29])=[CH:26][N:25]([C:30]4[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=4)[N:24]=3)=[CH:4][CH:5]=2)[N:10]=1 | 1 |
CC1=CC=C(C=C1)B(O)O.N(=O)C1=CC=C(C=O)C=C1>O.C1CCCO1.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC.[Cl-].[Na+].C1(=C(C=CC=C1)P(C(C)(C)C)C(C)(C)C)C1=CC=CC=C1.[Fe](Cl)Cl>CC1=CC=C(C=C1)C(O)C1=CC=C(C=C1)N=O | 3 |
COC1=C(C=CC=C1)C=1NC2=CC=C(C=C2C1)C1=CCN(CC1(C)C)CCN(C(OC(C)(C)C)=O)C>CO[H].C(=O)(C(F)(F)F)O.[HH].[Pd].ClCCCl>COC1=C(C=CC=C1)C=1NC2=CC=C(C=C2C1)C1C(CN(CC1)CCNC)(C)C | 3 |
C(C)OC([C@H](CC1=CC=C(C=C1)O)OCC)=O.Br.BrCC1=NC=CC=C1>>C(C)O[C@H](C(=O)OCC)CC1=CC=C(C=C1)OCC1=NC=CC=C1 | 5 |
C1(=CC=CC=C1)C(C1=CC=CC=C1)=NC(C#N)CC=1C=NC(=NC1)C=1C=CC2=C(N(C(O2)=O)C)C1>ClCCl.Cl>NC(C#N)CC=1C=NC(=NC1)C=1C=CC2=C(N(C(O2)=O)C)C1 | 3 |
ClC1=NC(=NS1)N1C=NC=C1.NC(C(=O)NCCC1=CC2=C(OCO2)C=C1)C(C)C>CCN(CC)CC.CS(=O)C>O1COC2=C1C=CC(=C2)CCNC([C@@H](C(C)C)NC2=NC(=NS2)N2C=NC=C2)=O | 3 |
C1(=CC=CC=C1)C=1NC(=CN1)C(=O)O.C(C(C)C)[C@H]1C(N[C@H](CN1)CC(C)C)=O.C(C(C)C)[C@H]1C(N[C@H](CN1C(C1=CC=C(C=C1)OC1=CC=CC=C1)=O)CC(C)C)=O>>C(C(C)C)[C@H]1C(N[C@H](CN1C(=O)C=1N=C(NC1)C1=CC=CC=C1)CC(C)C)=O | 5 |
[C:1]([C:5]([C:8]([C:11]([CH2:14][C:15]([CH2:18][C:19]([CH2:22][CH2:23]I)([F:21])[F:20])([F:17])[F:16])([F:13])[F:12])([F:10])[F:9])([F:7])[F:6])([F:4])([F:3])[F:2].CNC=[O:28].O>CCOCC>[C:1]([C:5]([C:8]([C:11]([CH2:14][C:15]([CH2:18][C:19]([CH2:22][CH2:23][OH:28])([F:21])[F:20])([F:17])[F:16])([F:13])[F:12])([F:10])[F:9])([F:7])[F:6])([F:4])([F:3])[F:2] | 1 |
[O:1]1[CH:6]=[C:5]([C:7]([OH:9])=[O:8])[CH2:4][CH2:3][CH2:2]1>CCO>[O:1]1[CH2:2][CH2:3][CH2:4][CH:5]([C:7]([OH:9])=[O:8])[CH2:6]1 | 2 |
COC(=O)C=1SC(=CC1NS(=O)(=O)C1=C(C=C(C=C1)C)C)C(C)(C)C>>C(C)(C)(C)C1=CC(=C(S1)C(=O)O)NS(=O)(=O)C1=C(C=C(C=C1)C)C | 5 |
[Br:1][C:2]1[N:3]=[C:4]([NH2:8])[S:5][C:6]=1[Cl:7].[Cl:9][CH2:10][C:11](=O)[CH2:12][C:13](OCC)=[O:14]>>[Br:1][C:2]1[N:3]2[C:13](=[O:14])[CH:12]=[C:11]([CH2:10][Cl:9])[N:8]=[C:4]2[S:5][C:6]=1[Cl:7] | 2 |
[C:1]([O:5][C:6](=[O:25])[NH:7][C:8]1[CH:13]=[C:12]([CH:14]=[C:15]([CH:22]2[CH2:24][CH2:23]2)[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH:11]=[CH:10][N:9]=1)([CH3:4])([CH3:3])[CH3:2].[H][H]>CO.C(Cl)Cl.[Pd]>[C:1]([O:5][C:6](=[O:25])[NH:7][C:8]1[CH:13]=[C:12]([CH2:14][CH:15]([CH:22]2[CH2:23][CH2:24]2)[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH:11]=[CH:10][N:9]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:9]=[C:10]([O:12][CH2:13][CH3:14])[CH:11]=1)[CH:7]=O)[CH3:2].[C:15](#[N:19])[CH2:16][C:17]#[N:18]>C(O)CC.[OH-].[K+]>[CH2:1]([O:3][C:4]1[CH:5]=[C:6]([CH:9]=[C:10]([O:12][CH2:13][CH3:14])[CH:11]=1)[CH:7]=[C:16]([C:15]#[N:19])[C:17]#[N:18])[CH3:2] | 1 |
OC1=C(C=CC=C1N\N=C/1\C(=NN(C1=O)C1=CC=2CCCCC2C=C1)C)C1=CC=C(O1)C(=O)O>>[Na+].[Na+].OC1=C(C=CC=C1N\N=C/1\C(=NN(C1=O)C1=CC=2CCCCC2C=C1)C)C1=CC=C(O1)C(=O)[O-].OC1=C(C=CC=C1N\N=C/1\C(=NN(C1=O)C1=CC=2CCCCC2C=C1)C)C1=CC=C(O1)C(=O)[O-] | 5 |
[OH-].[Ca+2].[OH-].ClC1=C(C=C(C=C1)Cl)O>>ClC1=C(C=O)C=C(C(=C1)O)Cl | 5 |
FC=1C=C2C(=NN(C2=CC1F)C1OCCCC1)C1=CC=NC2=CC=CN=C12>N(C)(C)C=O.ClCCl.C(=O)(C(F)(F)F)O>FC=1C=C2C(=NNC2=CC1F)C1=CC=NC2=CC=CN=C12 | 3 |
C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=NN(C2=CC(=CC=C12)C1CCN(CC1)C(=O)[C@H]1[C@@H](CN(CC1)C(=O)OC(C)(C)C)C)C)OCC1=CC=CC=C1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)OC1=NC(=CC=C1C1=NN(C2=CC(=CC=C12)C1CCN(CC1)C[C@H]1[C@@H](CN(CC1)C(=O)OC(C)(C)C)C)C)OCC1=CC=CC=C1 | 3 |
COC1=C(C=C(C=C1)C)S(=O)(=O)Cl>N(C)(C)C=O.[H-].[Na+]>COC1=C(C=C(C=C1)C)S(=O)(=O)N1C=CC=2C(=CC=CC12)C=O | 3 |
[NH2:1][C:2]1[C:7]([C:8]([O:10][CH3:11])=[O:9])=[C:6]2[O:12][CH2:13][C:14]3[CH:15]=[N:16][S:17][C:18]=3[C:5]2=[CH:4][CH:3]=1.N1C=CC=CC=1.[Br:25][C:26]1[CH:31]=[C:30]([F:32])[CH:29]=[CH:28][C:27]=1[S:33](Cl)(=[O:35])=[O:34]>C(Cl)Cl>[Br:25][C:26]1[CH:31]=[C:30]([F:32])[CH:29]=[CH:28][C:27]=1[S:33]([NH:1][C:2]1[C:7]([C:8]([O:10][CH3:11])=[O:9])=[C:6]2[O:12][CH2:13][C:14]3[CH:15]=[N:16][S:17][C:18]=3[C:5]2=[CH:4][CH:3]=1)(=[O:35])=[O:34] | 1 |
CC1N(CCN(C1)C1=C(C=NN1C)[N+](=O)[O-])C(=O)OC(C)(C)C>>NC=1C=NN(C1N1CC(N(CC1)C(=O)OC(C)(C)C)C)C | 5 |
NC1=CC=CC=C1.O=C1C=C(OC2=CC=CC=C12)C(=O)O>N(C)(C)C=O.ClS(Cl)=O>O=C1C=C(OC2=CC=CC=C12)C(=O)NC1=CC=CC=C1 | 3 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC(=C(C#N)NC(C)=O)Cl>CC#N.CCN(CC)CC>C(#N)C=1N=C(OC1N1CCN(CC1)C(=O)OC(C)(C)C)C | 3 |
[Na].F[C:3]1[CH:8]=[C:7]([C:9]2[C:10]([C:21]3[O:22][CH:23]=[CH:24][CH:25]=3)=[N:11][C:12]([NH2:20])=[N:13][C:14]=2[C:15]2[O:16][CH:17]=[CH:18][CH:19]=2)[CH:6]=[CH:5][N:4]=1>C(O)CCC>[CH2:15]([O:16][C:3]1[CH:8]=[C:7]([C:9]2[C:10]([C:21]3[O:22][CH:23]=[CH:24][CH:25]=3)=[N:11][C:12]([NH2:20])=[N:13][C:14]=2[C:15]2[O:16][CH:17]=[CH:18][CH:19]=2)[CH:6]=[CH:5][N:4]=1)[CH2:14][CH2:9][CH3:7] | 1 |
OC1C(CCC2=C(C(=CC(=C12)OC)C)OC)NC(C)=O>O.Cl.[OH-].[Na+]>NC1C(C2=C(C=C(C(=C2CC1)OC)C)OC)O | 3 |
N[C@@H]1CC[C@H](CC1)C(=O)O.COC=1C=C2C=C(OC(C2=CC1)=O)C>N(C)(C)C=O>COC=1C=C2C=C(N(C(C2=CC1)=O)[C@@H]1CC[C@H](CC1)C(=O)O)C | 3 |
NC[C@H](O)[C@H](C[C@@H](C(C)C)CC1=CC(=C(C=C1)OC)OCCCOC)NC(OC(C)(C)C)=O.CN(C(C)(CCC)C)C=1C(C(C1OC)=O)=O>>COCCCOC=1C=C(C[C@@H](C[C@@H]([C@H](CNC=2C(C(C2N(C(C)(CCC)C)C)=O)=O)O)NC(=O)OC(C)(C)C)C(C)C)C=CC1OC | 5 |
FC(CNC(NC1=NN(C=C1)CCC#N)=S)(F)F>CO[H].N.[Hg]=O>FC(CN=C(NC1=NN(C=C1)CCC#N)N)(F)F | 3 |
[NH2:1][C:2]1[CH:28]=[CH:27][C:5]([O:6][C:7]2[CH:12]=[CH:11][N:10]=[C:9]([NH:13][C:14]([N:16]3[CH2:21][CH2:20][CH:19]([CH2:22][N:23]4[CH2:26][CH2:25][CH2:24]4)[CH2:18][CH2:17]3)=[O:15])[CH:8]=2)=[C:4]([F:29])[CH:3]=1.[C:30]1([CH2:36][C:37]([N:39]=[C:40]=[O:41])=[O:38])[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.C(OCC)C>CN(C)C=O.CCCCCC>[F:29][C:4]1[CH:3]=[C:2]([NH:1][C:40]([NH:39][C:37](=[O:38])[CH2:36][C:30]2[CH:31]=[CH:32][CH:33]=[CH:34][CH:35]=2)=[O:41])[CH:28]=[CH:27][C:5]=1[O:6][C:7]1[CH:12]=[CH:11][N:10]=[C:9]([NH:13][C:14]([N:16]2[CH2:21][CH2:20][CH:19]([CH2:22][N:23]3[CH2:24][CH2:25][CH2:26]3)[CH2:18][CH2:17]2)=[O:15])[CH:8]=1 | 1 |
CC=1C2=C(SC1C(=O)OC)C=CC=C2>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-].[Cl-].[NH4+]>CC=1C2=C(SC1CO)C=CC=C2 | 3 |
O(C1=CC=CC=C1)C1=C(C(=O)O)C=CC=C1.NC1=C(C=CC=C1)\C=C(\C(=O)OCC)/F>N(C)(C)C=O.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>F\C(\C(=O)OCC)=C/C1=C(C=CC=C1)NC(C1=C(C=CC=C1)OC1=CC=CC=C1)=O | 3 |
C=1C=CC(=C(C1)CC(=O)O)NC=2C(=CC=CC2Cl)Cl.OC1=CC=C(C(=O)OC2COC(OC2)C2=CC=CC=C2)C=C1>C1(=CC=NC=C1)N(C)C.ClCCl.C1(CCCCC1)N=C=NC1CCCCC1>ClC1=C(C(=CC=C1)Cl)NC1=C(C=CC=C1)CC(=O)OC1=CC=C(C(=O)OC2COC(OC2)C2=CC=CC=C2)C=C1 | 3 |
C(C)(C)(C)OC(=O)N[C@H]1CNCC1.C12C(C3CC(CC(C1)C3)C2)N=C=O>ClCCl.Cl.C(C)(C)N(C(C)C)CC>C12C(C3CC(CC(C1)C3)C2)NC(=O)N2C[C@@H](CC2)NC(OC(C)(C)C)=O | 3 |
[CH3:1][N:2]1[C:7]2[C:8](C)=[CH:9][NH:10][C:6]=2[C:5](=[O:12])[N:4]([CH3:13])[C:3]1=[O:14].Br[CH2:16][C:17]([NH:19][C:20]1[S:21][CH:22]=[C:23]([C:25]2[CH:30]=[C:29]([F:31])[C:28]([O:32][CH2:33][CH2:34][C:35]([F:38])([F:37])[F:36])=[C:27]([F:39])[CH:26]=2)[N:24]=1)=[O:18].[H-].[Na+]>CN(C=O)C>[F:39][C:27]1[CH:26]=[C:25]([C:23]2[N:24]=[C:20]([NH:19][C:17](=[O:18])[CH2:16][N:10]3[C:6]4[C:5](=[O:12])[N:4]([CH3:13])[C:3](=[O:14])[N:2]([CH3:1])[C:7]=4[CH:8]=[CH:9]3)[S:21][CH:22]=2)[CH:30]=[C:29]([F:31])[C:28]=1[O:32][CH2:33][CH2:34][C:35]([F:36])([F:37])[F:38] | 1 |
FC(C=1N=C(SC1)N)(F)F>CC#N.Cl.[Cu](Cl)Cl.N(=O)OC(C)(C)C>ClC=1SC=C(N1)C(F)(F)F | 3 |
COC=1C=2N(C=C(N1)C)C(=NC2)C2(CC2)C>Cl.O1CCOCC1.C(O)([O-])=O.[Na+]>CC=1NC(C=2N(C1)C(=NC2)C2(CC2)C)=O | 3 |
[CH2:1]([O:8][C:9]([CH:11]1[CH:16]=[CH:15][O:14][N:13]([CH2:17][N:18]2C(=O)C3=CC=CC=C3C2=O)[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>NN.C(OCC)(=O)C>[NH2:18][CH2:17][N:13]1[CH2:12][CH:11]([C:9]([O:8][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[O:10])[CH:16]=[CH:15][O:14]1 | 2 |
[SH:1][CH2:2][CH2:3][S:4][CH2:5][CH2:6][SH:7].C(=O)([O-])[O-].[K+].[K+].Cl[C:15]1[CH:20]=[CH:19][C:18]([C:21](=[O:31])[C:22]([CH3:30])([N:24]2[CH2:29][CH2:28][O:27][CH2:26][CH2:25]2)[CH3:23])=[CH:17][CH:16]=1>CC(N(C)C)=O.C(OCC)(=O)C>[SH:1][CH2:2][CH2:3][S:4][CH2:5][CH2:6][S:7][C:15]1[CH:16]=[CH:17][C:18]([C:21](=[O:31])[C:22]([CH3:23])([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[CH3:30])=[CH:19][CH:20]=1 | 1 |
[NH2:1][CH2:2][C@@H:3]1[C@H:8]([CH3:9])[CH2:7][CH2:6][CH2:5][N:4]1[C:10]([C:12]1[CH:17]=[C:16]([CH3:18])[CH:15]=[CH:14][C:13]=1C1C=NN(C)C=1)=[O:11].CC1C=CC([N:35]2[CH:39]=[C:38]([CH3:40])[N:37]=[N:36]2)=C(C=1)C(O)=O>>[NH2:1][CH2:2][C@@H:3]1[C@H:8]([CH3:9])[CH2:7][CH2:6][CH2:5][N:4]1[C:10]([C:12]1[CH:17]=[C:16]([CH3:18])[CH:15]=[CH:14][C:13]=1[N:35]1[CH:39]=[C:38]([CH3:40])[N:37]=[N:36]1)=[O:11] | 1 |
[NH:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3[CH:44]=[C:43]([Cl:45])[CH:42]=[CH:41][C:11]=3[O:12][C:13]3[C:18]([F:19])=[CH:17][C:16]([S:20]([N:23](CC4C=CC(OC)=CC=4OC)[C:24]4[S:28][N:27]=[CH:26][N:25]=4)(=[O:22])=[O:21])=[C:15]([F:40])[CH:14]=3)=[CH:9][C:4]=2[N:3]=[CH:2]1.FC(F)(F)C(O)=O>ClCCl>[NH:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3[CH:44]=[C:43]([Cl:45])[CH:42]=[CH:41][C:11]=3[O:12][C:13]3[C:18]([F:19])=[CH:17][C:16]([S:20]([NH:23][C:24]4[S:28][N:27]=[CH:26][N:25]=4)(=[O:21])=[O:22])=[C:15]([F:40])[CH:14]=3)=[CH:9][C:4]=2[N:3]=[CH:2]1 | 1 |
FC1=C(C(=CC(=C1)OCCN1CCCCC1)F)N1CCN(CC1)C(C)=O>C1CCCO1.Cl>Cl.Cl.FC1=C(C(=CC(=C1)OCCN1CCCCC1)F)N1CCNCC1 | 3 |
N(=C=O)C1=CC=C(C(=O)OCC)C=C1.C(C)(C)C1=CC=C(C=C1)C1=NC(=NC=C1)NCC=1SC=CC1>ClCCl.CCN(CC)CC>C(C)OC(C1=CC=C(C=C1)NC(=O)N(CC=1SC=CC1)C1=NC=CC(=N1)C1=CC=C(C=C1)C(C)C)=O | 3 |
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