smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1(CC1)C(=O)Cl.FC1=C(N)C=CC(=C1)I>C1CCCO1.CCN(CC)CC>FC1=C(C=CC(=C1)I)NC(=O)C1CC1 | 3 |
BrC=1C=C2C(NC=NC2=C(C1C)[N+](=O)[O-])=O>>NC=1C(=CC=C2C(NC=NC12)=O)C | 5 |
C(C)(=O)C=1C=C(C=C2C(C=C(OC12)N1CCOCC1)=O)C(=O)OC>CO[H].ClCCl.[Na+].[BH4-]>OC(C)C=1C=C(C=C2C(C=C(OC12)N1CCOCC1)=O)C(=O)OC | 3 |
ClCCCC(=O)C1=CC=C(C=C1)F.ClC1=CC=C(C=C1)SC=1CCNCC1>Cl.C([O-])([O-])=O.[K+].[K+].C1=CC=CC=C1>Cl.ClC1=CC=C(C=C1)SC=1CCN(CC1)CCCC(=O)C1=CC=C(C=C1)F | 3 |
C(#N)C=1C(=C(C=NC1)C=1OC2=C(C1)C=C(C=C2)CN2CCN(CC2)C(=O)OC(C)(C)C)NC=2C(=C1C=CNC1=CC2)C>>CC1=C2C=CNC2=CC=C1NC1=C(C=NC=C1C#N)C=1OC2=C(C1)C=C(C=C2)CN2CCNCC2 | 5 |
C1(=CC=CC=C1)C1=NOC(=C1)C(=O)N[C@@H]1C[C@H](C1)C(=O)NNC(=O)C1COC1>O.c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.CCN(CC)CC.II>C1(=CC=CC=C1)C1=NOC(=C1)C(=O)N[C@@H]1C[C@H](C1)C=1OC(=NN1)C1COC1 | 3 |
[O:1]1[CH2:6][CH2:5][NH:4][C:3]2[CH:7]=[N:8][CH:9]=[CH:10][C:2]1=2.[CH3:11][O:12][C:13]1[CH:18]=[CH:17][C:16]([S:19](Cl)(=[O:21])=[O:20])=[CH:15][CH:14]=1.C(N(CC)CC)C.Cl>ClCCl>[CH3:11][O:12][C:13]1[CH:14]=[CH:15][C:16]([S:19]([N:4]2[CH2:5][CH2:6][O:1][C:2]3[CH:10]=[CH:9][N:8]=[CH:7][C:3]2=3)(=[O:21])=[O:20])=[CH:17][CH:18]=1 | 1 |
O1C=C(C=C1)B(O)O.IC1=CN(C2=NC=C(C=C21)C=2C=C(C=CC2)OS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C2=CC=C(C=C2)C>>O1C=C(C=C1)C1=CNC2=NC=C(C=C21)C=2C=C(C=CC2)O | 5 |
Cl[C:2]1[CH:7]=[N:6][CH:5]=[CH:4][N:3]=1.[N+:8]([C:11]1[CH:12]=[C:13](B(O)O)[CH:14]=[CH:15][CH:16]=1)([O-:10])=[O:9].C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.ClCCl.[Pd].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>[N+:8]([C:11]1[CH:16]=[C:15]([C:2]2[CH:7]=[N:6][CH:5]=[CH:4][N:3]=2)[CH:14]=[CH:13][CH:12]=1)([O-:10])=[O:9] | 1 |
[C:1]([O:5][C:6](=[O:21])[NH:7][C@H:8]([CH:11]=[C:12]([CH3:20])[CH2:13][P:14]([O:18][CH3:19])([O:16][CH3:17])=[O:15])[CH2:9][OH:10])([CH3:4])([CH3:3])[CH3:2].C([OH:25])(C)C.C(OCC)(=O)C>CC(C)=O.[O-2].[O-2].[O-2].[Cr+6].S(=O)(=O)(O)O>[C:1]([O:5][C:6]([NH:7][C@H:8]([CH:11]=[C:12]([CH3:20])[CH2:13][P:14]([O:16][CH3:17])([O:18][CH3:19])=[O:15])[C:9]([OH:25])=[O:10])=[O:21])([CH3:3])([CH3:4])[CH3:2] | 1 |
C(C)(=O)OCC=1C=C(C=C2C(=NNC12)C(C)=O)C=1C=NC(=NC1)C.C(C)(=O)C1=NN(C2=CC=C(C=C12)C=1C=NC(=NC1)C)CC(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(=O)C1=NN(C2=CC=C(C=C12)C=1C=NC(=NC1)C)CC(=O)N1[C@@H]2C[C@@]2(C[C@H]1C(=O)NC1=NC(=CC(=C1)CCC)Br)C | 3 |
[CH3:1][O:2][C:3](=[O:41])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][N:11]2[CH:15]=[C:14]([C:16]3[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:17]=3[Cl:23])[N:13]=[C:12]2[NH:24][C:25]2[CH:30]=[CH:29][C:28]([C:31]3[CH:36]=[CH:35][CH:34]=[C:33]([C:37]([F:40])([F:39])[F:38])[CH:32]=3)=[CH:27][CH:26]=2)=[CH:6][CH:5]=1.I[CH3:43]>>[CH3:1][O:2][C:3](=[O:41])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][N:11]2[CH:15]=[C:14]([C:16]3[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:17]=3[Cl:23])[N:13]=[C:12]2[N:24]([CH3:43])[C:25]2[CH:30]=[CH:29][C:28]([C:31]3[CH:36]=[CH:35][CH:34]=[C:33]([C:37]([F:39])([F:38])[F:40])[CH:32]=3)=[CH:27][CH:26]=2)=[CH:6][CH:5]=1 | 2 |
Cl[C:2]1[N:10]=[C:9]2[C:5]([N:6]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:25])([CH3:24])[CH3:23])[C:7](=[O:17])[N:8]2[CH:11]2[CH2:16][CH2:15][O:14][CH2:13][CH2:12]2)=[CH:4][N:3]=1.C1(C(C2C=CC=CC=2)=[NH:33])C=CC=CC=1.C(=O)([O-])[O-].[Cs+].[Cs+].C([O-])(=O)C.[Na+].Cl.NO>CO.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(P(C2C=CC=CC=2)C2C=CC3C(=CC=CC=3)C=2C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(C)C=CC=CC=1>[NH2:33][C:2]1[N:10]=[C:9]2[C:5]([N:6]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:25])([CH3:24])[CH3:23])[C:7](=[O:17])[N:8]2[CH:11]2[CH2:16][CH2:15][O:14][CH2:13][CH2:12]2)=[CH:4][N:3]=1 | 2 |
C1(CCCCC1)CN.C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)(C(=O)O)NC(=O)OC(C)(C)C>>C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)(C(=O)NCC1CCCCC1)NC(OC(C)(C)C)=O | 5 |
BrC=1C(=NC=CC1)C=O>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(CO)O>BrC=1C(=NC=CC1)C1OCCO1 | 3 |
C(N)(=O)C=1C=C(C(=C(OCCOCCOCCC(=O)OC(C)(C)C)C1)Cl)[N+](=O)[O-].[Si](C)(C)(C(C)(C)C)OC/C=C/CN>CCO[H].C(C)(C)N(C(C)C)CC>[Si](C)(C)(C(C)(C)C)OC/C=C/CNC1=C(OCCOCCOCCC(=O)OC(C)(C)C)C=C(C=C1[N+](=O)[O-])C(N)=O | 3 |
[N:1]([C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[C:6]([N:11]2[C:15](=[O:16])[C:14]3=[CH:17][C:18]([Cl:21])=[CH:19][CH:20]=[C:13]3[C:12]2=[O:22])[CH:5]=1)=C=O.Cl>O1CCOCC1>[NH2:1][C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[C:6]([N:11]2[C:15](=[O:16])[C:14]3=[CH:17][C:18]([Cl:21])=[CH:19][CH:20]=[C:13]3[C:12]2=[O:22])[CH:5]=1 | 1 |
CC1=CC(=CC2=C1C(OC(=N2)OC(C)C)=O)OCC2=CC=CC=C2>[HH].C(C)(=O)OCC.[Pd]>CC1=CC(=CC2=C1C(OC(=N2)OC(C)C)=O)O | 3 |
[CH2:1]([OH:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].F[C:12]1[CH:13]=[C:14]([CH:32]=[CH:33][C:34]=1[N+:35]([O-:37])=[O:36])[O:15][C:16]1[C:25](=[O:26])[C:24]2[C:19](=[CH:20][C:21]([OH:27])=[CH:22][CH:23]=2)[O:18][C:17]=1[C:28]([F:31])([F:30])[F:29].[NH4+].[Cl-]>CS(C)=O>[CH2:1]([O:8][C:33]1[CH:32]=[C:14]([CH:13]=[CH:12][C:34]=1[N+:35]([O-:37])=[O:36])[O:15][C:16]1[C:25](=[O:26])[C:24]2[C:19](=[CH:20][C:21]([OH:27])=[CH:22][CH:23]=2)[O:18][C:17]=1[C:28]([F:31])([F:29])[F:30])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
Cl[C:2]1[N:10]=[C:9]([Cl:11])[C:8]([F:12])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[F:13][C:14]1[CH:20]=[CH:19][C:17]([NH2:18])=[CH:16][CH:15]=1.C[Si]([N-][Si](C)(C)C)(C)C.[Li+]>C1COCC1>[Cl:11][C:9]1[C:8]([F:12])=[CH:7][C:3]([C:4]([OH:6])=[O:5])=[C:2]([NH:18][C:17]2[CH:19]=[CH:20][C:14]([F:13])=[CH:15][CH:16]=2)[N:10]=1 | 1 |
C[O:2][C:3]1[CH:4]=[C:5]([C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([F:32])([F:31])[F:30])[CH:24]=2)[CH:6]=[C:7]([CH3:22])[C:8]=1[C:9]([N:11]1[CH2:16][CH2:15][CH:14]([N:17]2[CH2:21][CH2:20][CH2:19][CH2:18]2)[CH2:13][CH2:12]1)=[O:10].B(Br)(Br)Br.C(=O)([O-])O.[Na+]>C(Cl)Cl>[OH:2][C:3]1[CH:4]=[C:5]([C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([F:32])([F:31])[F:30])[CH:24]=2)[CH:6]=[C:7]([CH3:22])[C:8]=1[C:9]([N:11]1[CH2:12][CH2:13][CH:14]([N:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[CH2:15][CH2:16]1)=[O:10] | 1 |
[C:1]1([CH3:17])[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[P:7]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH3:16])(=O)[OH:8].S(Cl)([Cl:20])=O>>[C:1]1([CH3:17])[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[P:7]([Cl:20])([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH3:16])=[O:8] | 2 |
BrC=1C=C(C(=O)OC)C=C(C1COC(=O)NC1=C(C=CC=C1Cl)Cl)Br>>BrC1=CC(=CC2=C1COC(N2C2=C(C=CC=C2Cl)Cl)=O)C(=O)OC | 5 |
BrC=1C(=C(C=C2C(CCOC12)C(=O)OCC)Cl)OC1=CC=C(C(=O)O)C=C1.Cl.ClC1=CC=C(C=C1)C1=CC=CC(=N1)N>>BrC=1C(=C(C=C2C(CCOC12)C(=O)OCC)Cl)OC1=CC=C(C=C1)C(NC1=NC(=CC=C1)C1=CC=C(C=C1)Cl)=O | 5 |
[CH2:1]([O:6][C:7]1[N:15]=[CH:14][CH:13]=[CH:12][C:8]=1[C:9]([OH:11])=O)[CH:2]=[C:3]([CH3:5])[CH3:4].[NH2:16][CH2:17][CH:18]1[CH2:22][CH2:21][CH2:20][N:19]1[CH2:23][CH3:24]>>[CH2:23]([N:19]1[CH2:20][CH2:21][CH2:22][CH:18]1[CH2:17][NH:16][C:9](=[O:11])[C:8]1[CH:12]=[CH:13][CH:14]=[N:15][C:7]=1[O:6][CH2:1][CH:2]=[C:3]([CH3:4])[CH3:5])[CH3:24] | 1 |
[NH:1]1[CH2:7][CH2:6][CH2:5][CH:4]([C:8]2[N:16]3[C:11]([C:12]([NH2:17])=[N:13][CH:14]=[N:15]3)=[C:10]([C:18]3[CH:19]=[CH:20][C:21]4[C:25]([CH:26]=3)=[N:24][N:23]([CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[CH:22]=4)[CH:9]=2)[CH2:3][CH2:2]1.[CH3:34][S:35](Cl)(=[O:37])=[O:36].C(N(CC)C(C)C)(C)C>CN(C=O)C>[CH2:27]([N:23]1[CH:22]=[C:21]2[C:25]([CH:26]=[C:18]([C:10]3[CH:9]=[C:8]([CH:4]4[CH2:5][CH2:6][CH2:7][N:1]([S:35]([CH3:34])(=[O:37])=[O:36])[CH2:2][CH2:3]4)[N:16]4[C:11]=3[C:12]([NH2:17])=[N:13][CH:14]=[N:15]4)[CH:19]=[CH:20]2)=[N:24]1)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1 | 1 |
C(C)(=O)OC(C)=O.ClC1=CC=C(C=2N3C(=NC21)N(CCC3)C3=NC=C(C=C3Cl)Cl)C(CC)O>>C(C)(=O)OC(CC)C1=CC=C(C2=C1N1C(=N2)N(CCC1)C1=NC=C(C=C1Cl)Cl)Cl | 5 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=2)=O)=[C:4](F)[CH:3]=1.[NH:17](C(OC(C)(C)C)=O)[NH2:18].C(O)(=O)C>CO>[Br:1][C:2]1[CH:3]=[C:4]2[C:5]([C:8]([C:10]3[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=3)=[N:17][NH:18]2)=[CH:6][CH:7]=1 | 2 |
BrCC#CC.C(C1=CC=CC=C1)OC(N)=O>N(C)(C)C=O.[H-].[Na+]>C(C#CC)N(C(OCC1=CC=CC=C1)=O)CC#CC | 3 |
CC(CC(C)=O)=O.N(N)C1=NC(=C2N=CN(C2=N1)C)NC1CC2=CC=CC=C2C1>>CC1=NN(C(=C1)C)C1=NC(=C2N=CN(C2=N1)C)NC1CC2=CC=CC=C2C1 | 5 |
C(C1=CC=CC=C1)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)N1N=NC2=C1N=C(NC2=O)N>C(C)(=O)OCC>C(C(C)C)(=O)OC(C(C)C)=O.C(C1=CC=CC=C1)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)N1N=NC2=C1N=C(NC2=O)NC(C(C)C)=O | 3 |
CI.ClC=1C=C(CC2=NC3=CC(=CC=C3C(N2)=O)C(=O)OC)C=CC1>>ClC=1C=C(CC2=NC3=CC(=CC=C3C(N2C)=O)C(=O)OC)C=CC1 | 5 |
BrC1=CC=C2C3=C(NC2=C1)CC1CCCN1C3>C1CCCO1.[H-].[Na+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>BrC1=CC=C2C3=C(N(C2=C1)S(=O)(=O)C1=CC=C(C)C=C1)CC1CCCN1C3 | 3 |
BrC1=CC(=NC=C1)N1CCOCC1>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+]>CC1(OB(OC1(C)C)C1=CC(=NC=C1)N1CCOCC1)C | 3 |
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH3:25][C:26]1[O:27][C:28]([C:32]([OH:34])=O)=[C:29]([CH3:31])[N:30]=1.CCN(C(C)C)C(C)C.[Si]([O:51][C:52]1[CH:53]=[N:54][C:55]2[N:56]([CH:58]=[C:59]([C:61]3[CH:62]=[C:63]([CH:65]=[CH:66][C:67]=3[F:68])[NH2:64])[N:60]=2)[CH:57]=1)(C(C)(C)C)(C)C>CN(C=O)C>[F:68][C:67]1[CH:66]=[CH:65][C:63]([NH:64][C:32]([C:28]2[O:27][C:26]([CH3:25])=[N:30][C:29]=2[CH3:31])=[O:34])=[CH:62][C:61]=1[C:59]1[N:60]=[C:55]2[N:54]=[CH:53][C:52]([OH:51])=[CH:57][N:56]2[CH:58]=1 | 2 |
C(C)(C)(C)OC(=O)N1[C@@H](CC[C@@H]1C)C(=O)O.COC(=O)N[C@H](C(=O)N1[C@@H](CC[C@@H]1C)C(=O)OCC(=O)C=1C=CC2=C(COC=3C=C4C(=CC23)CCC(C4=O)Br)C1)[C@H](CC)C>C1CCCO1>C[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)OC1C(C=2C(=CC=3C4=C(COC3C2)C=C(C=C4)C(COC(=O)[C@H]4N([C@H](CC4)C)C([C@H]([C@H](CC)C)NC(=O)OC)=O)=O)CC1)=O | 3 |
BrC=1NC2=CC=C(C=C2C1C=O)OC.COCCN1N=C(C(=C1C)B1OC(C(O1)(C)C)(C)C)C>>COC=1C=C2C(=C(NC2=CC1)C=1C(=NN(C1C)CCOC)C)C=O | 5 |
COC=1C=C(C=CC1)B(O)O.IC1=NC(=CC=C1OC1=CC=NC2=CC(=C(C=C12)OC)OC)C>>COC=1C=C2C(=CC=NC2=CC1OC)OC=1C(=NC(=CC1)C)C1=CC(=CC=C1)OC | 5 |
COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)O)C1)OC(C)=O)C)=O.NC=1C(=NC=CC1)N1CCOCC1>>O1CCN(CC1)C1=NC=CC=C1NC(C1=C(C=CC(=C1)CC=1C(C(=C(C(C1C)=O)OC)OC)=O)OC(C)=O)=O | 5 |
CC(CCN)(C)C.C(C1=CC=CC=C1)N(C(CC(=O)O)C1CCCCC1)C(C)C1=CC=CC=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>C(C1=CC=CC=C1)N(C(CC(=O)NCCC(C)(C)C)C1CCCCC1)C(C)C1=CC=CC=C1 | 3 |
[C:1]([CH:3]([CH:7]1[C:11]([Cl:12])=[C:10](Cl)C(=O)O1)[C:4]([NH2:6])=[O:5])#[N:2].Cl.[NH2:16][CH2:17][C:18]1[CH:23]=[C:22]([Cl:24])[CH:21]=[CH:20][C:19]=1[S:25]([NH:28][CH3:29])(=[O:27])=[O:26].C(=O)([O-])[O-].[K+].[K+]>C(O)C>[ClH:12].[Cl:12][C:11]1[CH:7]=[C:3]([C:4]([NH2:6])=[O:5])[C:1](=[NH:2])[N:16]([CH2:17][C:18]2[CH:23]=[C:22]([Cl:24])[CH:21]=[CH:20][C:19]=2[S:25](=[O:27])(=[O:26])[NH:28][CH3:29])[CH:10]=1 | 1 |
FC=1C=C(C(=O)C2=C(C(=O)O)C=C(C=C2)OC)C=CC1>>FC=1C=C(C=CC1)C1=NNC(C2=CC(=CC=C12)OC)=O | 5 |
C1(=CN2CCCC3=CC=CC1=C23)C=2C(NC(C2C2=CC(=CC=C2)OC)=O)=O>>C1(=CN2CCCC3=CC=CC1=C23)[C@@H]2C(NC([C@H]2C2=CC(=CC=C2)OC)=O)=O | 5 |
BrC/C=C/C(=O)Cl.NC1=CC=C(C=C1)C(=O)N1CC(CCC1)NC1=NC=C(C(=N1)C1=CN(C2=CC=CC=C12)S(=O)(=O)C1=CC=CC=C1)Cl>N(C)(C)C=O.C1CCCO1.C(Cl)(Cl)(Cl)[H].ClCCl.C(C)(C)N(C(C)C)CC.CNC>ClC=1C(=NC(=NC1)NC1CN(CCC1)C(=O)C1=CC=C(C=C1)C(C(=O)N)=CCN(C)C)C1=CN(C2=CC=CC=C12)S(=O)(=O)C1=CC=CC=C1 | 3 |
BrCCOC1=C(C=C(C=C1)[N+](=O)[O-])OC.FC1(CNCC1)F>>FC1(CN(CC1)CCOC1=C(C=C(C=C1)[N+](=O)[O-])OC)F | 5 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]([CH3:13])[C:10]([OH:12])=O)=[CH:5][C:4]=1[O:14][CH3:15])#[N:2].[CH2:16]([O:20][C:21]1[C:26]([CH2:27][NH2:28])=[CH:25][CH:24]=[C:23]([C:29]([F:32])([F:31])[F:30])[N:22]=1)[CH2:17][CH2:18][CH3:19].CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1.C(N(CC)CC)C>C(#N)C.C(OCC)(=O)C>[CH2:16]([O:20][C:21]1[C:26]([CH2:27][NH:28][C:10](=[O:12])[CH:9]([C:6]2[CH:7]=[CH:8][C:3]([C:1]#[N:2])=[C:4]([O:14][CH3:15])[CH:5]=2)[CH3:13])=[CH:25][CH:24]=[C:23]([C:29]([F:32])([F:30])[F:31])[N:22]=1)[CH2:17][CH2:18][CH3:19] | 2 |
[Cl:1][C:2]1[S:3][C:4]([C:7](=[O:14])[CH2:8][N:9](C=O)[CH:10]=[O:11])=[CH:5][CH:6]=1.[OH-].[K+].C(O)C>O1CCCC1>[Cl:1][C:2]1[S:3][C:4]([C:7](=[O:14])[CH2:8][NH:9][CH:10]=[O:11])=[CH:5][CH:6]=1 | 1 |
CSC.[B].BrC1=CC=C(C=C1)CCC(=O)NC[C@@H](C=1C=NC=CC1)O>>BrC1=CC=C(C=C1)CCCNC[C@H](O)C=1C=NC=CC1 | 5 |
[CH:1]([O:4][C:5]1([C:8]2[CH:13]=[CH:12][C:11]([C:14]#[C:15][C:16]3[CH:26]=[CH:25][C:19]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:18][CH:17]=3)=[CH:10][CH:9]=2)[CH2:7][CH2:6]1)([CH3:3])C.C(OC(=O)[C:31]1[CH:36]=[CH:35]C(I)=[CH:33][CH:32]=1)C>C(N(CC)CC)C.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[CH2:1]([O:4][C:5]1([C:8]2[CH:9]=[CH:10][C:11]([C:14]#[C:15][C:16]3[CH:26]=[CH:25][C:19]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:18][CH:17]=3)=[CH:12][CH:13]=2)[CH2:7][CH2:6]1)[C:3]1[CH:35]=[CH:36][CH:31]=[CH:32][CH:33]=1 | 1 |
C(C)(C)(C)OC(=O)N1CC2(C1)CCN(CC2)C2=NC=NC=C2NC2=C(C(=O)O)C=C(C=C2)F>N(C)(C)C=O.O.C(C)(C)NC(C)C.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>C(C)(C)N(C(=O)C1=C(C=CC(=C1)F)NC=1C(=NC=NC1)N1CCC2(CN(C2)C(=O)OC(C)(C)C)CC1)C(C)C | 3 |
BrC1=NC=C(C(=C1)N(S(=O)(=O)C)S(=O)(=O)C)I>>BrC1=NC=C(C(=C1)NS(=O)(=O)C)I | 5 |
[CH2:1]([NH:8][C:9]1[N:18]=[C:17]2[C:12]([C:13]([N:20]3[CH2:25][CH2:24][S:23](=[O:26])[CH2:22][CH2:21]3)=[N:14][C:15](Cl)=[N:16]2)=[N:11][C:10]=1[Cl:27])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH:28]1[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]1>>[CH2:1]([NH:8][C:9]1[N:18]=[C:17]2[C:12]([C:13]([N:20]3[CH2:25][CH2:24][S:23](=[O:26])[CH2:22][CH2:21]3)=[N:14][C:15]([N:28]3[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]3)=[N:16]2)=[N:11][C:10]=1[Cl:27])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)NC1=C(C=NC=2N1N=CC2C(=O)NS(=O)(=O)C)C(=O)N2CCC1(CC2)CN(C2=CC=CC=C21)C(=O)OC(C)(C)C>Cl>C(C1=CC=CC=C1)NC1=C(C=NC=2N1N=CC2C(=O)NS(=O)(=O)C)C(=O)N2CCC1(CC2)CNC2=CC=CC=C21 | 3 |
O.O.[Sn](Cl)Cl.[Cl:6][C:7]1[CH:8]=[C:9]2[C:15]([N+:16]([O-])=O)=[CH:14][NH:13][C:10]2=[N:11][CH:12]=1.[OH-].[Na+]>Cl.O>[Cl:6][C:7]1[CH:8]=[C:9]2[C:15]([NH2:16])=[CH:14][NH:13][C:10]2=[N:11][CH:12]=1 | 2 |
CC1=CC2=C(N=C(N=C2C=2SC=CC2C)O)S1>>ClC=1N=C(C2=C(N1)SC(=C2)C)C=2SC=CC2C.ClC=1N=C(C2=C(N1)SC(=C2)C)C=2SC(=CC2C)C=O | 5 |
[2H]C1(CN(CC(C1O)([2H])[2H])C(=O)OC(C)(C)C)[2H]>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>[2H]C1(CN(CC(C1OS(=O)(=O)C)([2H])[2H])C(=O)OC(C)(C)C)[2H] | 3 |
C1(=CC=CC=C1)COC1=C(C=C(C=C1)OCC1=CC=CC=C1)C(=O)C1=C(C=C(C=C1OC)OC)OC>CO[H].[HH].[Pd]>OC1=C(C=C(C=C1)O)C(=O)C1=C(C=C(C=C1OC)OC)OC | 3 |
ClC=1C(=C2CC(NC2=CC1)=O)C.C(=O)C=1NC=2CCCCC2C1C(C(=O)O)C>CCO[H].C(C)(=O)O.N1CCCCC1>ClC=1C(=C2C(C(NC2=CC1)=O)=CC=1NC=2CCCCC2C1CCC(=O)O)C | 3 |
C[C:2]1[C:3]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=2)=[N:4][CH:5]=[CH:6][CH:7]=1.[C:14](C1C=C2C(=CC=1)C=NC=C2)(C)(C)C>>[CH3:14][C:12]1[CH:11]=[CH:10][N:9]=[C:8]([C:3]2[CH:2]=[CH:7][CH:6]=[CH:5][N:4]=2)[CH:13]=1 | 1 |
CC=1C=CC(=NC1)C1=CC(=NN1C=1N=NC=CC1)C(=O)OCC>O.C1CCCO1.C(Cl)(Cl)(Cl)[H].CO[H].CCO[H].O[Li].O>CC=1C=CC(=NC1)C1=CC(=NN1C=1N=NC=CC1)C(=O)O | 3 |
CN.CC(CC(C)=O)C=1C=CC(=NC1)NC(C(CCC)NC(CC1=CC(=CC(=C1)F)F)=O)=O>C1CCCO1.C(C)(=O)O.ClCCCl.C(C)(=O)[O-].[Na+].C(#N)[BH3-].[Na+]>CC(CC(C)NC)C=1C=CC(=NC1)NC(C(CCC)NC(CC1=CC(=CC(=C1)F)F)=O)=O | 3 |
CC=1C=CC(=C(C1)C1=NC(=NO1)C(=O)OCC)[N+](=O)[O-]>>CC=1C=CC(=C(C1)C1=NC(=NO1)CO)[N+](=O)[O-] | 5 |
[Si:1]([O:18][CH2:19][CH2:20][O:21][CH:22]1[CH2:27][CH2:26][CH:25]([C:28](OC)=[O:29])[CH2:24][CH2:23]1)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(OCC)C>[Si:1]([O:18][CH2:19][CH2:20][O:21][CH:22]1[CH2:27][CH2:26][CH:25]([CH2:28][OH:29])[CH2:24][CH2:23]1)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[Cl:1][C:2]1[C:3]2[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13][C:4]=2[CH:5]=[C:6]2[C:11]=1[NH:10][C:9](=O)[CH2:8][CH2:7]2.CCO.[OH-].[Na+]>C1COCC1.O>[Cl:1][C:2]1[C:3]2[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][CH2:13][C:4]=2[CH:5]=[C:6]2[C:11]=1[NH:10][CH2:9][CH2:8][CH2:7]2 | 1 |
O[C@@H](CN(C(OC(C)(C)C)=O)CCC1=CC=C(C=C1)C1=CC(=C(C=C1)C(=O)NS(=O)(=O)CCOC)SC(C)C)C1=CC=CC=C1>>Cl.O[C@@H](CNCCC1=CC=C(C=C1)C1=CC(=C(C=C1)C(=O)NS(=O)(=O)CCOC)SC(C)C)C1=CC=CC=C1 | 5 |
[O:1]([CH2:8][C:9]1[CH:17]=[CH:16][CH:15]=[CH:14][C:10]=1[C:11]([OH:13])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:18][C@@H:19]([CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[CH2:20][OH:21]>>[C:2]1([O:1][CH2:8][C:9]2[CH:17]=[CH:16][CH:15]=[CH:14][C:10]=2[C:11]([NH:18][C@@H:19]([CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH2:20][OH:21])=[O:13])[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[CH3:1][C:2]([O:5][C@H:6]([CH3:41])[C@@H:7]([C:37]([O:39]C)=[O:38])[NH:8][C:9]([C:11]1[S:12][C:13]([C:29]2[CH:34]=[CH:33][C:32]([O:35][CH3:36])=[CH:31][CH:30]=2)=[CH:14][C:15]=1[NH:16][C:17]([NH:19][C:20]1[C:25]([CH3:26])=[CH:24][C:23]([CH3:27])=[CH:22][C:21]=1[CH3:28])=[O:18])=[O:10])([CH3:4])[CH3:3].[OH-].[Li+]>C1COCC1>[CH3:4][C:2]([O:5][C@H:6]([CH3:41])[C@@H:7]([C:37]([OH:39])=[O:38])[NH:8][C:9]([C:11]1[S:12][C:13]([C:29]2[CH:30]=[CH:31][C:32]([O:35][CH3:36])=[CH:33][CH:34]=2)=[CH:14][C:15]=1[NH:16][C:17]([NH:19][C:20]1[C:25]([CH3:26])=[CH:24][C:23]([CH3:27])=[CH:22][C:21]=1[CH3:28])=[O:18])=[O:10])([CH3:1])[CH3:3] | 2 |
C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2.ClC1=CC=C(C=N1)NC=C(C(=O)OC)C(=O)C1CC1>>ClC=1N=C2C(=C(C=NC2=CC1)C(=O)C1CC1)O | 5 |
NC(=S)N.C(C)(C)(C)C=1C=C(C=C(C1O)C(C)(C)C)C(CBr)=O>CC(=O)C>NC=1SC=C(N1)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C | 3 |
FC(C(=O)O)(F)F.N[C@H]1CN(CC1)C1=NC=CC2=CC(=CC=C12)NC(C=C)=O.ClC=1N=NC(=CN1)C#C[Si](C)(C)C>>C[Si](C)(C)C#CC1=CN=C(N=N1)N[C@H]1CN(CC1)C1=NC=CC2=CC(=CC=C12)NC(C=C)=O | 5 |
BrCCNC(OC(C)(C)C)=O.C(C1=CC=CC=C1)C1C(COC2=CC=C(C=C12)O)NC(OCC)=O>>C(C)OC(NC1COC2=CC=C(C=C2C1CC1=CC=CC=C1)OCCNC(=O)OC(C)(C)C)=O | 5 |
[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(C1=CC=CC=C1)OC(=O)N[C@@]1([C@@H]2[C@H]([C@@H]2C(C1)=O)C(=O)OCC)C(=O)OCC>CC(C)(C)[O-].[K+].C1CCCO1>C(C1=CC=CC=C1)OC(=O)N[C@@]1([C@@H]2[C@H]([C@@H]2C(C1)=C)C(=O)OCC)C(=O)OCC | 3 |
NOS(=O)(=O)O.NC1=CC(=NN1)C1=CC=C(C=C1)F>[OH-].[K+]>NN1N=C(C=C1N)C1=CC=C(C=C1)F | 3 |
[C:1]([O:5][C:6]([NH:8][C@H:9]([C:17]([O:19][CH3:20])=[O:18])[CH2:10][CH2:11][C:12](=[O:16])[CH2:13][N+]#N)=[O:7])([CH3:4])([CH3:3])[CH3:2]>C1C=CC=CC=1.C([O-])(=O)C.[Rh+2].C([O-])(=O)C>[O:16]=[C:12]1[CH2:13][N:8]([C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[C@H:9]([C:17]([O:19][CH3:20])=[O:18])[CH2:10][CH2:11]1 | 2 |
ClC1=C(C=C(C=C1)CC#N)OC>O.CCO[H].[OH-].[K+]>ClC1=C(C=C(C=C1)CC(=O)O)OC | 3 |
[CH2:1]([O:3][C:4]([C:6]1[C:15](=[O:16])[C:14]2[C:9](=[N:10][C:11](Cl)=[C:12]([F:17])[CH:13]=2)[N:8]([CH:19]2[CH2:21][CH2:20]2)[CH:7]=1)=[O:5])[CH3:2].[C:22]([O:26][C:27]([NH:29][CH2:30][C:31]1[CH:39]=[CH:38][CH:37]=[C:36]2[C:32]=1[CH2:33][NH:34][CH2:35]2)=[O:28])([CH3:25])([CH3:24])[CH3:23].C(N(CC)CC)C>C(Cl)(Cl)Cl>[CH2:1]([O:3][C:4]([C:6]1[C:15](=[O:16])[C:14]2[C:9](=[N:10][C:11]([N:34]3[CH2:33][C:32]4[C:36](=[CH:37][CH:38]=[CH:39][C:31]=4[CH2:30][NH:29][C:27]([O:26][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:28])[CH2:35]3)=[C:12]([F:17])[CH:13]=2)[N:8]([CH:19]2[CH2:21][CH2:20]2)[CH:7]=1)=[O:5])[CH3:2] | 1 |
N[C@H]1CN(CC1)C(=O)OC(C)(C)C.BrC1=CC2=C(C=C1)C1(C(N(C3=CC=CC=C13)CC=1OC(=CC1)C(F)(F)F)=O)CO2>>O=C1N(C2=CC=CC=C2C12COC1=C2C=CC(=C1)N[C@H]1CN(CC1)C(=O)OC(C)(C)C)CC=1OC(=CC1)C(F)(F)F | 5 |
C1(CCCCC1)CN.ClC1=NC=C(C(=N1)C(F)(F)F)C(=O)Cl>>C1(CCCCC1)CNC(=O)C=1C(=NC(=NC1)Cl)C(F)(F)F | 5 |
C1(=CC=CC=C1)O.C(C)(C)(C)OC(=O)C1=CC2=C(CC(O2)CO)C(=C1)OCC1=CC=CC=C1>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C)(C)(C)OC(=O)C1=CC2=C(CC(O2)COC2=CC=CC=C2)C(=C1)OCC1=CC=CC=C1 | 3 |
C(CCC)(=O)OC(CCC)=O.COCC(=O)NC1=C(C(=O)OC)C=CC=C1>[N+](=O)(O)[O-]>COCC(=O)NC1=C(C(=O)OC)C=CC=C1[N+](=O)[O-] | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[NH:8][C:7](=[O:12])[C:6]([C:13]#[N:14])=[C:5]2[N:15]1[CH2:20][CH2:19][N:18]([C:21]([C:23]2[S:24][CH:25]=[CH:26][CH:27]=2)=[O:22])[CH2:17][CH2:16]1.Cl[CH2:29][CH2:30][N:31]1[CH2:36][CH2:35][O:34][CH2:33][CH2:32]1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[CH3:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]([CH2:29][CH2:30][N:31]1[CH2:36][CH2:35][O:34][CH2:33][CH2:32]1)[C:7](=[O:12])[C:6]([C:13]#[N:14])=[C:5]2[N:15]1[CH2:16][CH2:17][N:18]([C:21]([C:23]2[S:24][CH:25]=[CH:26][CH:27]=2)=[O:22])[CH2:19][CH2:20]1 | 1 |
C1=CC=CC=C1C(=O)OO.CC1=C(C=CC=C1C(F)(F)F)[N+](=O)[O-]>>[N+](=O)([O-])C1=C(CC(C(=O)OCC)N)C(=CC=C1)C(F)(F)F | 5 |
C(=O)(OC(C)(C)C)NCCN.C(C=1C(O)=CC=CC1)(=O)O>>C(C)(C)(C)OC(NCCNC(C1=C(C=CC=C1)O)=O)=O | 5 |
C(#N)C1=CC=C(C=C1)C=1C(=C(NC1C)CCC)C(=O)O>>CC=1NC(=CC1C1=CC=C(C#N)C=C1)CCC | 5 |
[CH:1]1([NH:4][C:5](=[O:31])[C:6]2[CH:11]=[C:10]([F:12])[C:9]([CH3:13])=[C:8]([C:14]3[CH:15]=[C:16]4[C:21](=[CH:22][CH:23]=3)[C:20](=[O:24])[N:19]([CH2:25][CH:26]3[CH2:28][CH2:27]3)[CH:18]=[C:17]4[CH:29]=O)[CH:7]=2)[CH2:3][CH2:2]1.[C@H:32]12[CH2:38][C@H:35]([NH:36][CH2:37]1)[CH2:34][N:33]2C(OC(C)(C)C)=O>>[C@H:32]12[CH2:38][C@H:35]([NH:36][CH2:37]1)[CH2:34][N:33]2[CH2:29][C:17]1[C:16]2[C:21](=[CH:22][CH:23]=[C:14]([C:8]3[CH:7]=[C:6]([CH:11]=[C:10]([F:12])[C:9]=3[CH3:13])[C:5]([NH:4][CH:1]3[CH2:3][CH2:2]3)=[O:31])[CH:15]=2)[C:20](=[O:24])[N:19]([CH2:25][CH:26]2[CH2:27][CH2:28]2)[CH:18]=1 | 1 |
Br[C:2]1[C:15]2[C:14](=[O:16])[N:13]([CH2:17][CH2:18][CH2:19][N:20]3[CH2:25][CH2:24][O:23][CH2:22][CH2:21]3)[C:12](=[O:26])[C:11]3=[CH:27][C:28](Br)=[C:8]4[C:9]([C:10]=23)=[C:4]([C:5](=[O:40])[N:6]([CH2:31][CH2:32][CH2:33][N:34]2[CH2:39][CH2:38][O:37][CH2:36][CH2:35]2)[C:7]4=[O:30])[CH:3]=1.[NH2:41][CH2:42][CH2:43][N:44]1[CH2:49][CH2:48][N:47]([CH3:50])[CH2:46][CH2:45]1>CN1C(=O)CCC1>[CH3:50][N:47]1[CH2:48][CH2:49][N:44]([CH2:43][CH2:42][NH:41][C:2]2[C:15]3[C:14](=[O:16])[N:13]([CH2:17][CH2:18][CH2:19][N:20]4[CH2:25][CH2:24][O:23][CH2:22][CH2:21]4)[C:12](=[O:26])[C:11]4=[CH:27][C:28]([NH:41][CH2:42][CH2:43][N:44]5[CH2:49][CH2:48][N:47]([CH3:50])[CH2:46][CH2:45]5)=[C:8]5[C:9]([C:10]=34)=[C:4]([C:5](=[O:40])[N:6]([CH2:31][CH2:32][CH2:33][N:34]3[CH2:39][CH2:38][O:37][CH2:36][CH2:35]3)[C:7]5=[O:30])[CH:3]=2)[CH2:45][CH2:46]1 | 2 |
[C:1]([O:5][C:6]([N:8]([CH2:19][C:20]1[CH:25]=[CH:24][C:23]([N+:26]([O-])=O)=[CH:22][CH:21]=1)[CH2:9][C:10]1[CH:15]=[CH:14][C:13]([N+:16]([O-])=O)=[CH:12][CH:11]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H][H]>O1CCCC1.[Pt].[C]>[C:1]([O:5][C:6]([N:8]([CH2:9][C:10]1[CH:11]=[CH:12][C:13]([NH2:16])=[CH:14][CH:15]=1)[CH2:19][C:20]1[CH:25]=[CH:24][C:23]([NH2:26])=[CH:22][CH:21]=1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
FC=1C=C(C=C(C1)C(F)(F)F)CC#N>[HH].[Pd]C.C1(=CC=C(C=C1)S(=O)(=O)O)C.COCCO>S(=O)(=O)(O)C1=CC=C(C)C=C1.FC=1C=C(CCN)C=C(C1)C(F)(F)F | 3 |
Cl[C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][N:3]=1.[C:9]1(B(O)O)[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1>C1C=CC(P(C2C=CC=CC=2)CCCCP(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.Cl[Pd]Cl>[Cl:8][C:5]1[CH:6]=[CH:7][C:2]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[N:3][CH:4]=1 | 1 |
[Br-].C(C)OC(CC[Zn+])=O.OC1=C(C(=CC2=C1[C@@]1(C(C3=CC=4C(C(=CC(C4C(=C3C([C@@]1([C@@H](C2)O)OC)=O)O)=N)N[C@H]2O[C@H]([C@@H]([C@H]([C@H]2OC)O)OC)C)=O)=O)O)C)C(=O)OC>C1CCCO1>C(C)OC(CCC1(C(=CC(C=2C(=C3C([C@@]4([C@@H](CC5=C([C@@]4(C(C3=CC12)=O)O)C(=C(C(=C5)C)C(=O)OC)O)O)OC)=O)O)=N)N[C@H]5O[C@H]([C@@H]([C@H]([C@H]5OC)O)OC)C)O)=O | 3 |
C(C1=CC=CC=C1)O.[N+](=O)([O-])C1=CC=C(C=C1)C(C(=O)O)C(C)C>C1(=CC=CC=C1)C.O.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>[N+](=O)([O-])C1=CC=C(C=C1)C(C(=O)OCC1=CC=CC=C1)C(C)C | 3 |
COC(C(=CNC=1C=NC=CC1)C(C1=CC(=C(C=C1)C)C)=O)=O>C1(=CC=CC=C1)OC1=CC=CC=C1>CC=1C=C(C(=O)C2=CNC3=CC=CN=C3C2=O)C=CC1C | 3 |
Cl.N[C@H](C)C=1C(NC2=CC(=C(C=C2C1)Cl)OC)=O.ClC1=NC=C(C(=N1)OC)C#N>CS(=O)C.C(C)(C)N(C(C)C)CC>ClC=1C=C2C=C(C(NC2=CC1OC)=O)[C@@H](C)NC1=NC=C(C(=N1)OC)C#N | 3 |
C([C:3]1[C:15]2[CH2:14][C:13]3[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=3)[C:7]=2[CH:6]=[CH:5][C:4]=1[C:16](=[O:20])[C:17]([OH:19])=[O:18])C.[OH-].[Na+].Cl>C(O)C>[CH:3]1[C:15]2[CH2:14][C:13]3[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=3)[C:7]=2[CH:6]=[CH:5][C:4]=1[C:16](=[O:20])[C:17]([OH:19])=[O:18] | 1 |
N([C@@H](CCCCN)C(=O)O)C(=O)OC(C)(C)C.CCCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N([C@@H](CCCCN)C(=O)O)C(CCCCCCCCCCCCCCCCC)=O | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([N:8]([CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[S:9]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)(=[O:11])=[O:10])[CH:5]=[CH:6][CH:7]=1.[CH3:25][N:26]1[C:30]([C:31](O)=[O:32])=[CH:29][N:28]=[CH:27]1.Cl.CN(C)CCCN=C=NCC.SC1SC2C=CC=CC=2N=1.C(N(CC)CC)C>C(#N)C>[C:12]1([S:9]([N:8]([CH2:18][C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)[C:4]2[CH:3]=[C:2]([NH:1][C:31]([C:30]3[N:26]([CH3:25])[CH:27]=[N:28][CH:29]=3)=[O:32])[CH:7]=[CH:6][CH:5]=2)(=[O:11])=[O:10])[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 1 |
CS(=O)(=O)Cl.O1C(OCC1)C1=C(C(=CC=C1)F)SC1=C(C=CC=C1)CO>>CS(=O)(=O)OCC1=C(C=CC=C1)SC1=C(C=CC=C1F)C1OCCO1 | 5 |
O=C(OCC)CC(=O)OCC.BrC1=C(C#N)C(=CC=C1)F>CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C(=C(C=CC1)C(C(=O)OCC)C(=O)OCC)C#N | 3 |
[CH3:1][S-:2].[Na+].Br[CH2:5][CH2:6][C:7]1[CH:8]=[CH:9][C:10]2[N:11]([N:13]=[C:14]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[C:15]=2[CH2:16][C:17]2[N:22]=[C:21]([C:23]([O:25][CH3:26])=[O:24])[CH:20]=[CH:19][CH:18]=2)[CH:12]=1.[Cl-].[NH4+]>CO>[CH3:1][S:2][CH2:5][CH2:6][C:7]1[CH:8]=[CH:9][C:10]2[N:11]([N:13]=[C:14]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)[C:15]=2[CH2:16][C:17]2[N:22]=[C:21]([C:23]([O:25][CH3:26])=[O:24])[CH:20]=[CH:19][CH:18]=2)[CH:12]=1 | 2 |
[N:1]12[CH2:8][CH2:7][CH:4]([CH2:5][CH2:6]1)[CH:3]([OH:9])[CH2:2]2.[C:10]1([CH3:19])[CH:15]=[CH:14][C:13]([N:16]=[C:17]=[O:18])=[CH:12][CH:11]=1>>[N:1]12[CH2:8][CH2:7][CH:4]([CH2:5][CH2:6]1)[CH:3]([O:9][C:17](=[O:18])[NH:16][C:13]1[CH:14]=[CH:15][C:10]([CH3:19])=[CH:11][CH:12]=1)[CH2:2]2 | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.