smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)C1=C(CN2N=C(C3=C(C=CC=C23)F)C2=CC(=C(C(=O)OC)C=C2F)OC)C(=CC=C1)C(F)(F)F>>C(C)C1=C(CN2N=C(C3=C(C=CC=C23)F)C2=CC(=C(C(=O)O)C=C2F)O)C(=CC=C1)C(F)(F)F | 5 |
Cl[C:2]1[CH:7]=[N:6][CH:5]=[C:4]([Cl:8])[N:3]=1.CS(C)=O.[O:13]1[CH2:18][CH2:17][CH:16]([CH2:19][NH2:20])[CH2:15][CH2:14]1>C(OCC)(=O)C>[Cl:8][C:4]1[N:3]=[C:2]([NH:20][CH2:19][CH:16]2[CH2:17][CH2:18][O:13][CH2:14][CH2:15]2)[CH:7]=[N:6][CH:5]=1 | 1 |
IC1=CC=C(C=C1)OC.COC1=CC=2NC3=CC(=CC=C3C2C=C1)OC>>COC1=CC=2N(C3=CC(=CC=C3C2C=C1)OC)C1=CC=C(C=C1)OC | 5 |
C(CCC)OC(=O)N1[C@@H](C[C@H](C1)SCC1=CC=C(C=C1)OC)CCCOS(=O)(=O)C.N1C=CC=C1>N(C)(C)C=O.[I-].[Na+].[H-].[Na+].[Cl-].[NH4+]>C(CCC)OC(=O)N1[C@@H](C[C@H](C1)SCC1=CC=C(C=C1)OC)CCCN1C=CC=C1 | 3 |
C=C1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)OC>>COC([C@H]1NCC(C1)=C)=O | 5 |
ClC1=NC=C(C(=N1)Cl)F>C1CCCO1.C[O-].[Na+]>ClC1=NC=C(C(=N1)OC)F | 3 |
ClC1=C(C=CC=C1)C1(CC1)C1NCCC2=CC(=C(C=C12)OC)C>CO[H].C(C)(=O)O.C=O.C(#N)[BH3-].[Na+]>ClC1=C(C=CC=C1)C1(CC1)C1N(CCC2=CC(=C(C=C12)OC)C)C | 3 |
N([C@@H](CCC(OC(C)(C)C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@H](C(=O)OCC2=CC=CC=C2)CCC1)C(=O)OCC1=CC=CC=C1>>N[C@@H](CCC(OC(C)(C)C)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1[C@H](C(=O)O)CCC1 | 5 |
FC(SCl)(F)F.FC(OC1=CC=C2C=NNC2=C1)(F)F>C1(=CC=CC=C1)C.CCN(CC)CC>FC(OC1=CC=C2C=NN(C2=C1)SC(F)(F)F)(F)F | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH2:8][CH:9]=[CH2:10])[C:3]=1[OH:11].B.[O:13]1CCCC1.[OH-].[Na+].OO>C1COCC1.O>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([CH2:8][CH2:9][CH2:10][OH:13])[C:3]=1[OH:11] | 2 |
O1CC(C1)=O.IC1=CC=C(C=C1)C1CC(CCC1)=O.IC1=CC=C(C=C1)C1CC(CCC1)NC(C)C1=CC=CC2=CC=CC=C12>C1CCCO1.C(C)(C)[Mg]Cl>C1(=CC=CC2=CC=CC=C12)[C@@H](C)NC1CC(CCC1)C1=CC=C(C=C1)C1(COC1)O | 3 |
C1(=CC=CC=C1)C#C.BrC1=CC=C(C=C1)C1=C(C=CC=C1)CC(CC1=C(C=CC=C1)C1=CC=C(C=C1)Br)=O>>C1(=CC=CC=C1)C#CC1=CC=C(C=C1)CC(CC1=CC=C(C=C1)C#CC1=CC=CC=C1)=O | 5 |
[CH2:1]([CH:3]([N:6]1[CH:10]=[C:9]([NH:11][C:12](=[O:18])[CH:13]([NH2:17])[CH2:14][CH2:15][CH3:16])[N:8]=[CH:7]1)[CH2:4][CH3:5])[CH3:2].[F:19][C:20]1[CH:21]=[C:22]2[C:27](=[C:28]([F:30])[CH:29]=1)[CH2:26][C:25](=O)[CH2:24][CH2:23]2>>[CH2:1]([CH:3]([N:6]1[CH:10]=[C:9]([NH:11][C:12](=[O:18])[CH:13]([NH:17][CH:25]2[CH2:24... | 1 |
O=C\1NC2=CC=CC=C2/C1=C\C1=CC=C(O1)C=1C=C(C=CC1)NC(OC(C)(C)C)=O>Cl>NC=1C=C(C=CC1)C1=CC=C(O1)\C=C/1\C(NC2=CC=CC=C12)=O | 3 |
C1(CC1)NC=1C(=CC(=CC1)I)N>C(=O)(C(F)(F)F)O.C(C)(=O)OCC>C1(CC1)N1C(=NC2=C1C=CC(=C2)I)C(F)(F)F | 3 |
[Cl-].O[NH3+:3].[C:4](=[O:7])([O-])[OH:5].[Na+].CS(C)=O.[CH2:13]([C:17]1[N:18]=[C:19]([CH3:47])[N:20]([C:40]2[CH:45]=[CH:44][CH:43]=[C:42]([CH3:46])[CH:41]=2)[C:21](=[O:39])[C:22]=1[CH2:23][C:24]1[CH:29]=[CH:28][C:27]([C:30]2[C:31]([C:36]#[N:37])=[CH:32][CH:33]=[CH:34][CH:35]=2)=[CH:26][C:25]=1[F:38])[CH2:14][CH2:15][C... | 1 |
Br[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([B:9]2[O:13][C:12]([CH3:15])([CH3:14])[C:11]([CH3:17])([CH3:16])[O:10]2)=[CH:5][CH:4]=1.[NH:18]([CH3:20])[CH3:19]>C1COCC1>[CH3:19][N:18]([CH3:20])[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([B:9]2[O:13][C:12]([CH3:15])([CH3:14])[C:11]([CH3:17])([CH3:16])[O:10]2)=[CH:5][CH:4]=1 | 1 |
C1(O)=CC(O)=CC=C1.O1CC(CCC1)=O>O.[OH-].[Na+]>OC1(COCCC1)C1=C(C=C(C=C1)O)O | 3 |
[H-].[Na+].[OH:3][C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=1.[H][H].[CH2:14](Cl)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>CN(C=O)C.O>[CH2:14]([O:3][C:4]1[CH:11]=[CH:10][C:7]([C:8]#[N:9])=[CH:6][CH:5]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
C(C)(C)(C)OC(NCC1=NN(C2=NC=CC(=C21)O[C@@H]2C[C@@H](C2)O)C2=CC=C(C=C2)OC(F)(F)F)=O>ClCCl.C(=O)(C(F)(F)F)O>NCC1=NN(C2=NC=CC(=C21)O[C@H]2C[C@H](C2)O)C2=CC=C(C=C2)OC(F)(F)F | 3 |
C1(CC1)CC(=O)NNC1=NC=CC(=C1C(F)(F)F)NC[C@@H]1[C@H](C1)C1=CC=C(C=C1)F>C1CCCO1.CC[N+](CC)(CC)S(=O)(=O)N=C([O-])OC>C1(CC1)CC1=NN=C2N1C=CC(=C2C(F)(F)F)NC[C@@H]2[C@H](C2)C2=CC=C(C=C2)F | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)S(=O)(=O)NC=1C(=C(C(=CC1)F)C=1C=C2C=NC(=NC2=CC1)NC(C(C)(C)C)=O)F)(F)F>CCO[H].[OH-].[Na+]>NC1=NC2=CC=C(C=C2C=N1)C=1C(=C(C=CC1F)NS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)F | 3 |
O[C@@H:2]1[C@H:8]2[C@H:9]3[C@H:18]([CH2:19][CH2:20][C@:5]2([CH2:6][CH3:7])[C:4](=[O:21])[CH2:3]1)[C@@H:17]1[C:12](=[CH:13][CH2:14][CH2:15][CH2:16]1)[CH2:11][CH2:10]3.CS(Cl)(=O)=O.CN(C)C=O.C([O-])(=O)C.[Na+]>N1C=CC=CC=1>[CH3:7][CH2:6][C@:5]12[CH2:20][CH2:19][C@H:18]3[C@@H:9]([CH2:10][CH2:11][C:12]4[C@@H:17]3[CH2:16][CH2... | 1 |
[CH3:1][N:2]1[C:6]([NH:7][C:8]2[N:9]=[CH:10][C:11]3[CH2:17][CH2:16][N:15](C(OC(C)(C)C)=O)[CH2:14][C:12]=3[N:13]=2)=[CH:5][CH:4]=[N:3]1.Cl.O1CCOCC1.N.CO>C(Cl)Cl.CCO>[CH3:1][N:2]1[C:6]([NH:7][C:8]2[N:9]=[CH:10][C:11]3[CH2:17][CH2:16][NH:15][CH2:14][C:12]=3[N:13]=2)=[CH:5][CH:4]=[N:3]1 | 1 |
C1N2CN3CN1CN(C2)C3.ClC=1SC(=CC1)CCl>C(Cl)(Cl)(Cl)[H]>ClC1=CC=C(S1)CC1N2CN3CN(CN1C3)C2 | 3 |
[N+](=O)([O-])C=1C=C(C=O)C=CC1.NC1=CC(=NC=C1)Cl>N(C)(C)C=O.[OH-].[Na+].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].CC([O-])C.[Ti+4].CC([O-])C.CC([O-])C.CC([O-])C>[N+](=O)([O-])C=1C=C(CNC2=CC(=NC=C2)Cl)C=CC1 | 3 |
F[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N+:8]([O-:10])=[O:9].[CH3:11][C:12]([O:15][C:16]([NH:18][CH:19]1[CH2:24][NH:23][CH2:22][CH2:21][CH2:20]1)=[O:17])([CH3:14])[CH3:13].CCN(C(C)C)C(C)C>CCO>[N+:8]([C:3]1[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=1[N:23]1[CH2:22][CH2:21][CH2:20][CH:19]([NH:18][C:16](=[O:17])[O:15][C:12]([CH3:13... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[S:12][C:11]([C:13](=[O:16])[CH2:14][CH3:15])=[C:10]([C:17]3[CH:22]=[CH:21][C:20]([S:23]([NH2:26])(=[O:25])=[O:24])=[CH:19][CH:18]=3)[C:9]=2[CH3:27])=[CH:4][CH:3]=1.[C:28]([O-])([O-])=O.[K+].[K+].CI>C(#N)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[S:12][C:11]([C:13](=[O:16])[CH2:14][CH3... | 1 |
N[C@@H](C(=O)O)C>O.CO[H].C([O-])([O-])=O.[K+].[K+].OC(=O)CC(O)(CC(O)=O)C(O)=O>C(C)(C)(C)OC(=O)N[C@@H](C(=O)O)C | 3 |
C(C)OC(=O)N1CCNCC1.CC=1C=C(C=O)C=CC1.C(#C)C1=CC(=CC=C1)Cl>>C(C)OC(=O)N1CCN(CC1)C(C#CC1=CC(=CC=C1)Cl)C=1C=C(C=CC1)C | 5 |
C(C)(=O)OC(C)=O.C(C1=CC=CC=C1)O[C@H]1[C@@H]([C@H](C[C@H]2[C@@H]1NC(O2)=O)C(C)O)OCC2=CC=CC=C2>c1ccncc1>C(C)(=O)OC(C)[C@H]1C[C@H]2[C@H](NC(O2)=O)[C@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1 | 3 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[N:7]1[CH:12]=[CH:11][C:10]([CH2:13][CH2:14][CH2:15][C:16]#[N:17])=[CH:9][CH:8]=1.S([O-])([O-])(=O)=O.[Na+].[Na+].O>CCOCC.O1CCCC1>[N:7]1[CH:12]=[CH:11][C:10]([CH2:13][CH2:14][CH2:15][CH2:16][NH2:17])=[CH:9][CH:8]=1 | 1 |
C(C1=CC=CC=C1)OC1=C(C(=C(C(=C1C)C)OCC1=CC=CC=C1)C)C(CC=C)O>ClCCl.C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>C(C1=CC=CC=C1)OC1=C(C(=C(C(=C1C)C)OCC1=CC=CC=C1)C)CCC=C | 3 |
CC1(NC2=CC=CC(=C2C=C1)C1CN(C1)C)C>CO[H].[Pt](=O)=O>CC1(NC2=CC=CC(=C2CC1)C1CN(C1)C)C | 3 |
ClC1=CC=C(C(=C1C(=O)NC=1C=C2C(=NC1)N(N=C2OCC)C(=O)OC(C)(C)C)F)NS(=O)(=O)CCC>>ClC1=CC=C(C(=C1C(=O)NC=1C=C2C(=NC1)NN=C2OCC)F)NS(=O)(=O)CCC | 5 |
C(C)OC(=O)C1CC(C2=C(SC=C2)C1)=O>>O=C1CC(CC=2SC=CC21)C(=O)O | 5 |
BrC=1C(=NC=C(N1)C1=CC=C(C=C1)O[Si](C)(C)C(C)(C)C)N.S1C2=C(C=C1B(O)O)SC=C2>C1(=CC=CC=C1)C.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].CCO[H].C([O-])([O-])=O.[Na+].[Na+]>[Si](C)(C)(C(C)(C)C)OC1=CC=C(C=C1)C=1N=C(C(=NC1)N)C1=CC2=C(S1)C=CS2 | 3 |
[C:1]([C:3]1[C:7]([CH3:8])=[C:6]([CH3:9])[S:5][C:4]=1[NH:10][C:11]([NH:13]C(=O)C1C=CC=CC=1)=[O:12])#[N:2].[CH3:22]I>>[CH3:22][O:12][C:11]1[N:13]=[C:1]([NH2:2])[C:3]2[C:7]([CH3:8])=[C:6]([CH3:9])[S:5][C:4]=2[N:10]=1 | 1 |
[C:1]([O:7][C:8]1[C:9]([CH3:18])=[C:10]2[N:15]([CH:16]=1)[N:14]=[CH:13][NH:12][C:11]2=O)(=[O:6])[C:2]([CH3:5])([CH3:4])[CH3:3].P(Cl)(Cl)([Cl:21])=O.CCN(C(C)C)C(C)C.C1(C)C=CC=CC=1>C(OCC)(=O)C.O>[C:1]([O:7][C:8]1[C:9]([CH3:18])=[C:10]2[N:15]([CH:16]=1)[N:14]=[CH:13][N:12]=[C:11]2[Cl:21])(=[O:6])[C:2]([CH3:5])([CH3:4])[CH... | 1 |
ClC1=NC(=CC=C1C(=O)OCC)Cl.CC1(C(C1(C)C)CCOC1=NNC=C1)C>ClCCl.C([O-])([O-])=O.[K+].[K+].CS(=O)C.N12CCN(CC1)CC2>ClC1=NC(=CC=C1C(=O)OCC)N1N=C(C=C1)OCCC1C(C1(C)C)(C)C | 3 |
[F:1][C:2]1[CH:21]=[CH:20][C:5]([CH2:6][CH:7]2[CH2:16][C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[CH2:9][N:8]2[CH2:17][CH2:18][NH2:19])=[CH:4][CH:3]=1.[C:22]([C:24]1[CH:25]=[C:26]([N:30]=[C:31]=[O:32])[CH:27]=[CH:28][CH:29]=1)#[N:23]>>[C:22]([C:24]1[CH:25]=[C:26]([NH:30][C:31]([NH:19][CH2:18][CH2:17][N:8]2[CH:7]([C... | 1 |
[CH2:1]([N:8]1[CH2:14][C:13]2[N:15]=[CH:16][C:17](Cl)=[N:18][C:12]=2[O:11][CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:20]([C@@H:22]1[CH2:27][O:26][CH2:25][CH2:24][NH:23]1)[CH3:21].CC(C1C=C(C(C)C)C(C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=C(C(C)C)C=1)C.CC(C)([O-])C.[Na+]>C1(C)C=CC=CC=1.C1C=CC(/C=C/C(/C=C/C2C=C... | 1 |
COCC(CC(=O)OC)=O.FC1(C(OC2=C(O1)C=C(C(=C2)N)F)(F)F)F>O.Cl.N(=O)[O-].[Na+]>COCC(C(C(=O)OC)=NNC1=CC2=C(OC(C(O2)(F)F)(F)F)C=C1F)=O | 3 |
Cl[C:2]1[N:6]([CH2:7][CH2:8][O:9][CH2:10][CH3:11])[C:5]2[CH:12]=[CH:13][CH:14]=[CH:15][C:4]=2[N:3]=1.[NH:16]1[CH2:22][CH2:21][CH2:20][NH:19][CH2:18][CH2:17]1.N12CCCN=C1CCCCC2.N1C=CC=CC=1>CO.C(OCC)(=O)C>[NH3:3].[CH3:8][OH:9].[CH2:10]([O:9][CH2:8][CH2:7][N:6]1[C:5]2[CH:12]=[CH:13][CH:14]=[CH:15][C:4]=2[N:3]=[C:2]1[N:16]1... | 1 |
[CH2:1]([OH:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].[Cl:11][C:12]1[N:17]=[C:16](Cl)[C:15]([N+:19]([O-:21])=[O:20])=[CH:14][N:13]=1.O>CN(C=O)C>[CH2:1]([O:8][C:14]1[C:15]([N+:19]([O-:21])=[O:20])=[CH:16][N:17]=[C:12]([Cl:11])[N:13]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C(C)(C)(C)OC(C(CC1=C(C=CC(=C1)C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)=O)[N+](=O)[O-])NC(=O)OC(C)(C)C)=O>>C(C)(C)(C)OC(C(CC1=C(C=CC(=C1)C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)=O)N)NC(=O)OC(C)(C)C)=O | 5 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC=1C(=NC=CC1)F>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>FC1=NC=CC=C1C1=CCN(CC1)C(=O)OC(C)(C)C | 3 |
[CH:1]([N:4]1[CH2:9][CH2:8][N:7]([C:10]2[S:11][C:12]3[CH:18]=[C:17]([C:19]#[N:20])[CH:16]=[CH:15][C:13]=3[N:14]=2)[CH2:6][CH2:5]1)([CH3:3])[CH3:2].Cl.[NH2:22][OH:23].O.C(=O)([O-])[O-].[K+].[K+]>C(O)C>[OH:23][NH:22][C:19]([C:17]1[CH:16]=[CH:15][C:13]2[N:14]=[C:10]([N:7]3[CH2:6][CH2:5][N:4]([CH:1]([CH3:2])[CH3:3])[CH2:9]... | 1 |
[OH:1][C:2]1[CH:3]=[C:4]([C:8]([O:10][CH3:11])=[O:9])[CH:5]=[N:6][CH:7]=1.Cl[C:13]([F:18])([F:17])C([O-])=O.[Na+].C(=O)([O-])[O-].[K+].[K+].[Cl-].[NH4+]>C(#N)C>[F:17][CH:13]([F:18])[O:1][C:2]1[CH:3]=[C:4]([C:8]([O:10][CH3:11])=[O:9])[CH:5]=[N:6][CH:7]=1 | 2 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C:9]2[CH:14]=[CH:13][C:12]([OH:15])=[C:11]([CH3:16])[CH:10]=2)=[CH:4][C:3]=1[CH3:17].C([O-])([O-])=O.[Cs+].[Cs+].CN(C=O)C.Br[CH2:30][C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32]>O>[C:34]([O:33][C:31](=[O:32])[CH2:30][O:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C:9]2[CH:14]=[CH:13][... | 1 |
ClC1=C(C(=NN1C)C(F)F)C(=O)Cl.CC1C2(CC=3C(=CC=CC13)N)CCCC2>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>ClC1=C(C(=NN1C)C(F)F)C(=O)NC1=C2CC3(C(C2=CC=C1)C)CCCC3 | 3 |
[N-:1]=[N+:2]=[N-:3].[Na+].Cl[CH2:6][C:7]([C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][C:17]([OH:19])=[O:18])=[CH:11][CH:10]=1)=[O:8]>O>[N:1]([CH2:6][C:7]([C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][C:17]([OH:19])=[O:18])=[CH:11][CH:10]=1)=[O:8])=[N+:2]=[N-:3] | 1 |
FC1=CC=C(C=C1)[N+](=O)[O-].C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)O>>C1(=CC=CC=C1)C(N1CC(C1)OC1=CC=C(C=C1)[N+](=O)[O-])C1=CC=CC=C1 | 5 |
Cl[C:2]1[N:3]=[C:4]([N:22]2[CH2:27][CH2:26][O:25][CH2:24][CH2:23]2)[C:5]2[N:11]=[C:10]([CH2:12][CH:13]3[CH2:18][CH2:17][N:16]([C:19](=[O:21])[CH3:20])[CH2:15][CH2:14]3)[CH:9]=[CH:8][C:6]=2[N:7]=1.[CH3:28][O:29][C@H:30]([C:32]1[NH:36][C:35]2[CH:37]=[CH:38][CH:39]=[CH:40][C:34]=2[N:33]=1)[CH3:31]>>[CH3:28][O:29][C@H:30](... | 1 |
[NH2:1][C:2]([NH2:4])=[O:3].N[C:6]1[CH:14]=[C:13]([C:15]([F:18])([F:17])[F:16])[CH:12]=[CH:11][C:7]=1[C:8](O)=[O:9]>O>[F:16][C:15]([F:17])([F:18])[C:13]1[CH:14]=[C:6]2[C:7]([C:8](=[O:9])[NH:1][C:2](=[O:3])[NH:4]2)=[CH:11][CH:12]=1 | 2 |
NC=1C=C(C(=O)NC2=CC(=C(C=C2)C)C)C=CC1N.CC1=C(C=O)C(=CC(=C1)OCC(N1CCCC1)=O)C>[Fe](Cl)(Cl)Cl>CC=1C=C(C=CC1C)NC(=O)C1=CC2=C(N=C(N2)C2=C(C=C(C=C2C)OCC(N2CCCC2)=O)C)C=C1 | 3 |
ClCCONCC1=CC=C(C=C1)F>CC#N.C1CCCO1.[I-].[Na+].CNC>CN(CCONCC1=CC=C(C=C1)F)C | 3 |
C(C1=CC=CC=C1)OC(=O)C1(CCP(CC1)(=O)C)C(=O)OCC1=CC=CC=C1>CCO[H].[HH].[Pd]>CP1(CCC(CC1)(C(=O)O)C(=O)O)=O | 3 |
[I-].C(#N)C[P+](C)(C)C.C(C#CC)N1N=C2C(N(C(C=C2N2[C@H](CN[C@@H](C2)CC)C)=O)C)=C1.N1=C(C=NC2=CC=CC=C12)C(C)O>CC#N.C(C)(C)N(C(C)C)CC>C(C#CC)N1N=C2C(N(C(C=C2N2[C@H](CN([C@@H](C2)CC)C(C)C2=NC3=CC=CC=C3N=C2)C)=O)C)=C1 | 3 |
C(C)N1C(C2=CC(=C(C=C2C(=C1)C(=O)O)OCCC1=NC2=CC=CC=C2C=C1)OC)=O>N(C)(C)C=O.ClCCl.ClS(Cl)=O.CCN(CC)CC.C(CCC)N>C(CCC)NC(=O)C1=CN(C(C2=CC(=C(C=C12)OCCC1=NC2=CC=CC=C2C=C1)OC)=O)CC | 3 |
[CH3:1][O:2][C:3](=[O:16])[C@H:4]([CH3:15])[N:5]([C:8]1[CH:13]=[CH:12][C:11](Cl)=[CH:10]C=1)C=O.[C:17](Cl)(=O)C(Cl)=O.Cl.Cl[CH2:25][Cl:26]>>[Cl:26][C:25]1[CH:17]=[C:13]2[C:12]([CH:15]=[C:4]([C:3]([O:2][CH3:1])=[O:16])[N:5]=[CH:8]2)=[CH:11][CH:10]=1 | 1 |
BrC1=CC=2C=CC=3C=CC=CC3C2C2=C1C=CC=C2>C1CCCO1.CCCCCC.COB(OC)OC>C1=CC=CC=2C(=CC=3C=CC=4C=CC=CC4C3C21)B(O)O | 3 |
C(C)(=O)N1CCCCOC=2C=CC=C(C[C@H](NC(C=3C=C(N=C1C3)C)=O)[C@@H](CNCC3=NC=CC(=C3)C(C)C)O)C2>CCO[H].[OH-].[Na+]>O[C@H](CNCC1=NC=CC(=C1)C(C)C)[C@H]1NC(C=2C=C(N=C(NCCCCOC=3C=CC=C(C1)C3)C2)C)=O | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:11])=[C:6]([N:8]=[C:9]=[S:10])[CH:7]=1.[NH2:12][C:13]1[S:14][C:15]2[CH:21]=[CH:20][CH:19]=[CH:18][C:16]=2[N:17]=1>>[S:14]1[C:15]2[CH:21]=[CH:20][CH:19]=[CH:18][C:16]=2[N:17]=[C:13]1[NH:12][C:9]([NH:8][C:6]1[CH:7]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=1[CH3:11])=[S:10] | 1 |
C1(CCC1)C(=O)Cl.ClC1=CC=C(C(C2=CC=C(C=C2)Cl)N2CCNCC2)C=C1>>ClC1=CC=C(C=C1)C(N1CCN(CC1)C(=O)C1CCC1)C1=CC=C(C=C1)Cl | 5 |
ClC=1C=C(C=2N(C1)N=CN2)NC2=NC=C(C=C2)N2CCN(CC2)C2COC2.C(C)(=O)OCC=1C(=NC=CC1B1OC(C(O1)(C)C)(C)C)N1C(C=2N(C=3CCCCC3C2)CC1)=O>CC#N.O.C(C)(=O)[O-].[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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(=O)OCC=1C(=NC=CC1C=1C=C(C=2N(C1)... | 3 |
C([C@@:8]12[CH2:18][CH2:17][C@@:16]([CH2:20][CH3:21])([OH:19])[CH2:15][C@@H:14]1CCC[C:10]1[CH:22]=[C:23]([C:26]([OH:28])=O)[CH:24]=[CH:25][C:9]2=1)C1C=CC=CC=1.CCN(C(C)C)[CH:32]([CH3:34])[CH3:33].CN(C(ON1N=N[C:48]2[CH:49]=[CH:50][CH:51]=[CH:52][C:47]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[C:62]1([NH2:69])[CH:67]=[CH:66][C:6... | 2 |
N1C=C(C2=CC=CC=C12)CC(=O)OCC>O.CO[H].Cl.[OH-].[K+]>N1C=C(C2=CC=CC=C12)CC(=O)O | 3 |
C1(CCC(=O)O1)=O.ClC1=C(C=C(C=N1)CN1C(=C(C(=C1C)C1=CC=C(C=C1)C#N)C#N)CCC)CO>>ClC1=NC=C(C=C1COC(CCC(=O)O)=O)CN1C(=C(C(=C1C)C1=CC=C(C=C1)C#N)C#N)CCC | 5 |
COC1=CC=C(COCC2=NN(C(=C2B2OC(C(O2)(C)C)(C)C)C)C)C=C1.BrC=1C(=CC=C2C(=C(NC12)C(=O)OC)CCC(=O)OC)F>O.O1CCOCC1.Cl[Pd]Cl.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=CC=C2C(=C(NC2=C1C=1C(=NN(C1C)C)COCC1=CC=C(C=C1)OC)C(=O)OC)CCC(=O)OC | 3 |
ClC1=CC(=CC=C1)I>>C(C)(=O)OI(C1=CC(=CC=C1)Cl)OC(C)=O | 5 |
BrCC(=O)OC(C)(C)C.NCC1=CC=C(C=C1)CC(=O)OC(C)(C)C>CC#N.CCN(CC)CC>C(C)(C)(C)OC(CC1=CC=C(CNCC(=O)OC(C)(C)C)C=C1)=O | 3 |
C1(C=CCCC1)=O.COC(=O)C=1SC=CC1N([C@@H]1CC[C@H](CC1)OC1OCCCC1)C(=O)[C@@H]1CC[C@H](CC1)C>>COC(=O)C=1SC(=CC1N([C@@H]1CC[C@H](CC1)OC1OCCCC1)C(=O)[C@@H]1CC[C@H](CC1)C)C1(C=CCCC1)O | 5 |
CN1CCN(CC1)C1=CC=C(N)C=C1.NC1=NC(=NC=C1C(=O)C1=C(C=CC=C1)OC)S(=O)(=O)CC>>NC1=NC(=NC=C1C(=O)C1=C(C=CC=C1)OC)NC1=CC=C(C=C1)N1CCN(CC1)C | 5 |
[Br-].C[Mg+].FC1=CC=C(COC2=CC(N(C=C2)C=2C=CC=3N(C2)C(=C(N3)C(=O)N(C)OC)C)=O)C=C1>>C(C)(=O)C=1N=C2N(C=C(C=C2)N2C(C=C(C=C2)OCC2=CC=C(C=C2)F)=O)C1C | 5 |
Cl[C:2]1[NH:3][C:4]2[CH:10]=[CH:9][CH:8]=[CH:7][C:5]=2[N:6]=1.C([O-])([O-])=O.[Na+].[Na+].[CH:17]([C:19]1[CH:20]=[CH:21][C:22]([O:28][CH3:29])=[C:23](B(O)O)[CH:24]=1)=[O:18]>COCCOC>[CH3:29][O:28][C:22]1[CH:23]=[CH:24][C:19]([CH:17]=[O:18])=[CH:20][C:21]=1[C:2]1[NH:3][C:4]2[CH:10]=[CH:9][CH:8]=[CH:7][C:5]=2[N:6]=1 | 2 |
CS(=O)(=O)Cl.CN1N=C(C(=CC1=O)C=1CCNCC1)C1=C(C=CC=C1)OC1=CC=CC=C1>>CN1N=C(C(=CC1=O)C=1CCN(CC1)S(=O)(=O)C)C1=C(C=CC=C1)OC1=CC=CC=C1 | 5 |
C(O[N:6]1[CH2:11][CH2:10][N:9]([C:12]([CH:14]2[CH2:19][CH2:18][N:17]([C:20]3[CH:25]=[CH:24][N:23]=[CH:22][CH:21]=3)[CH2:16][CH2:15]2)=[O:13])[CH2:8][CH2:7]1)(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[N:23]1[CH:22]=[CH:21][C:20]([N:17]2[CH2:18][CH2:19][CH:14]([C:12]([N:9]3[CH2:8][CH2:7][NH:6][CH2:11][CH2:10]3)=[O:13])[CH2:15][CH2:16... | 1 |
C[O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:13][C@@H:12]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[O:11][C:10]2=[O:20])=[CH:5][CH:4]=1.B(Br)(Br)Br.CCCCCC>C(Cl)Cl>[OH:2][C:3]1[CH:4]=[CH:5][C:6]([N:9]2[CH2:13][C@@H:12]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[O:11][C:10]2=[O:20])=[CH:7][CH:8]=1 | 1 |
CN(C(OC(C)(C)C)=O)C1=CC(=CC=C1)C#CC=1C=NC(=NC1)N>>CNC=1C=C(C=CC1)C#CC=1C=NC(=NC1)N | 5 |
CN(CCNC)C.C1(CC1)N1C=C(C2=CC=CC=C12)C1=NC(=NC=C1C#N)NC1=C(C=C(C(=C1)[N+](=O)[O-])F)OC>CC#N.C([O-])([O-])=O.[K+].[K+]>C1(CC1)N1C=C(C2=CC=CC=C12)C1=NC(=NC=C1C#N)NC1=C(C=C(C(=C1)[N+](=O)[O-])N(C)CCN(C)C)OC | 3 |
Cl.Cl.Cl.[O:4]1[C:12]2[CH:11]=[CH:10][N:9]=[C:8]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH2:27])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[C:7]=2[CH2:6][CH2:5]1.[F:28][C:29]([F:35])([F:34])[CH2:30][C:31](O)=[O:32]>>[O:4]1[C:12]2[CH:11]=[CH:10][N:9]=[C:8]([N:13]3[CH2:18][CH2:17][N:16]... | 1 |
C1(CC1)C1=CC=C(C=C1)OCOC>O.C1CCCO1.C(CCC)[Li].II.[O-]S(=O)(=S)[O-].[Na+].[Na+]>C1(CC1)C1=CC(=C(C=C1)OCOC)I | 3 |
N[C@H](C(=O)OC)CC1C(NCC1)=O.C1(=CC=CC=C1)C(CC1=CC=CC=C1)OC(=O)N[C@@H](CC(C)C)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C1(=CC=CC=C1)C(CC1=CC=CC=C1)OC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C[C@H]1C(NCC1)=O)CC(C)C | 3 |
[Si:1]([O:8][C@H:9]1[CH2:14][CH2:13][C@H:12]([N:15]2[C:19]3[N:20]=[CH:21][N:22]=[C:23](Cl)[C:18]=3[CH:17]=[CH:16]2)[CH2:11][CH2:10]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].N>CCO.[Pd]>[Si:1]([O:8][C@H:9]1[CH2:10][CH2:11][C@H:12]([N:15]2[C:19]3[N:20]=[CH:21][N:22]=[CH:23][C:18]=3[CH:17]=[CH:16]2)[CH2:13][CH2:14... | 2 |
[C:1]([N:9]1[C:21]2[CH2:20][CH2:19][CH2:18][CH:17]([C:22]([O:24]CC3C=CC=CC=3)=[O:23])[C:16]=2[C:15]2[C:10]1=[CH:11][CH:12]=[CH:13][CH:14]=2)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H][H]>[Pd].C(O)C>[C:1]([N:9]1[C:21]2[CH2:20][CH2:19][CH2:18][CH:17]([C:22]([OH:24])=[O:23])[C:16]=2[C:15]2[C:10]1=[CH:11][CH:12]=[... | 1 |
Cl[Si](C(C)C)(C(C)C)C(C)C.OCCC(=O)OC>C1(=CC=NC=C1)N(C)C.c1cnc[nH]1.ClCCl.[Cl-].[NH4+]>C(C)(C)[Si](OCCC(=O)OC)(C(C)C)C(C)C | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)OC(C(C)C1=CC2=C(N=C(S2)N)C=C1)=O>CCN(CC)CC.O1CCOCC1>C(C)OC(C(C)C1=CC2=C(N=C(S2)NC(=O)OC(C)(C)C)C=C1)=O | 3 |
Br.[C:2]([C:4]1[CH:9]=[CH:8][C:7]([C:10](=[O:23])[CH2:11][N:12]2[CH2:17][CH2:16][CH2:15][C@H:14]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH2:13]2)=[CH:6][CH:5]=1)#[N:3].[CH3:24][Mg]Br.C(=O)(O)[O-].[Na+].Cl.[NH2:33][OH:34]>C1COCC1.C(OCC)(=O)C>[OH:23][C:10]([C:7]1[CH:6]=[CH:5][C:4](/[C:2](=[N:33]/[OH:34])/[NH2:3])=[CH:9][... | 1 |
C(C)(C)(C)OC(=O)N(C1=CC(=NC=2N1N=CC2C2CCC2)NC[C@H]2[C@@H](CN(CC2)C(=O)OC(C)(C)C)O)C2=CC(=CC(=C2)F)F>O.ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>C1(CC1)C=1C=NN2C1N=C(C=C2NC2=CC(=CC(=C2)F)F)NC[C@H]2[C@@H](CNCC2)O | 3 |
FS(C1=CC=C(C(=O)O)C=C1)(F)(F)(F)F>C1CCCO1.C1CCCCC1.CN(CCN(C)C)C.C(C)(CC)[Li]>ClC1=C(C(=O)O)C=CC(=C1)S(F)(F)(F)(F)F | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[C:6]3[CH2:15][N:14]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:13][CH2:12][C:7]=3[N:8]([CH3:11])[C:9]=2[CH:10]=1.[Cl:23][C:24]1[CH:29]=[C:28]([Cl:30])[CH:27]=[CH:26][C:25]=1[C:31]1[CH:36]=[CH:35][NH:34][C:33](=[O:37])[CH:32]=1>>[Cl:23][C:24]1[CH:29]=[C:28]([Cl:30])[CH:27]=[... | 1 |
CN(P(N(C)C)(N(C)C)=O)C.O.[Cl:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1[C:20](=[O:47])[C:21]1[CH:26]=[C:25]([Cl:27])[CH:24]=[CH:23][C:22]=1[N:28]([S:34]([C:37]1[CH:42]=[C:41]([O:43][CH3:44])[CH:40]=[CH:39][C:38]=1[O:45][CH3:46])(=[O:36])=[O:35])[CH2:29][C:30]([O:32][CH3:33])=[O:31]>C1COCC1>[Cl:27][C:25]1[CH:26]=[... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[N:13]=[N:12][C:11]([NH:14][NH:15][C:16](=O)[CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)=[CH:10][C:9]=1[C:25]1[CH:30]=[CH:29][C:28]([Cl:31])=[CH:27][CH:26]=1.[Cl-].[Cl-].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.ClC1C=CC=CC=1C1C(C2C=CC(Cl)=CC=2)=CC2N(C(CC3CCCCC... | 1 |
C(C)OC(CC)(OCC)OCC.C1(CC1)CNC(=O)C1=CC=C(C=C1)C1=C(C=CC(=C1)C(=O)NN)C>>C1(CC1)CNC(=O)C1=CC=C(C=C1)C1=C(C=CC(=C1)C=1OC(=NN1)CC)C | 3 |
ClCCCC(=O)OC.CC(C)(C)C=1C=C(C=C(C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C>N(C)(C)C=O.[F-].[K+]>CC(C)(C)C=1C=C(C=C(C1O)C(C)(C)C)SC(C)(C)SC1=CC(=C(OCCCC(=O)OC)C(=C1)C(C)(C)C)C(C)(C)C | 3 |
[N:1]1[CH:6]=[C:5]([C:7]2[CH:8]=[C:9]([CH:12]=[CH:13][CH:14]=2)[CH:10]=O)[CH:4]=[N:3][CH:2]=1.[CH3:15][O:16][C:17]1[CH:18]=[C:19]([CH:21]=[CH:22][CH:23]=1)[NH2:20]>>[CH3:15][O:16][C:17]1[CH:18]=[C:19]([CH:21]=[CH:22][CH:23]=1)[N:20]=[CH:10][C:9]1[CH:12]=[CH:13][CH:14]=[C:7]([C:5]2[CH:6]=[N:1][CH:2]=[N:3][CH:4]=2)[CH:8]... | 2 |
N(=[N+]=[N-])C[C@@H]([C@@H](C=C)OCC1=CC=CC=C1)O>c1ccncc1.C1=CC=CC=C1.C(C)N(CC)S(F)(F)F>N(=[N+]=[N-])C[C@H]([C@@H](C=C)OCC1=CC=CC=C1)F | 3 |
C(C1=CC=CC=C1)C=1N(C=2C(=C3CC[C@@H](N(C3=CC2)C(=O)OC)C)N1)[C@@H]1CC[C@H](OC1)C(=O)O>N(C)(C)C=O.[Cl-].[NH4+].CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C1=CC=CC=C1)C=1N(C=2C(=C3CC[C@@H](N(C3=CC2)C(=O)OC)C)N1)[C@H]1CO[C@@H](CC1)C(N)=O | 3 |
OCCCN1CCOCC1.OC1=C(C=C2C(=NC=NC2=C1)NC=1C=C(C=CC1C)NC(C1=CC(=CC=C1)C(F)(F)F)=O)OC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>COC=1C=C2C(=NC=NC2=CC1OCCCN1CCOCC1)NC=1C=C(C=CC1C)NC(C1=CC(=CC=C1)C(F)(F)F)=O | 3 |
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