smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)I.C(#N)C=1C=C2C(=CNC2=CC1)C(=O)OC>N(C)(C)C=O.O.[H-].[Na+]>C(#N)C=1C=C2C(=CN(C2=CC1)C(C)C)C(=O)OC | 3 |
O1CCCC=C1.COC(C1=CC(=CC(=C1)CO)Cl)=O>ClCCl.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>ClC=1C=C(C(=O)OC)C=C(C1)COC1OCCCC1 | 3 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([S:11]([CH3:14])(=O)=O)=[CH:7][N:6]=1)(=O)=O.BrC1C=CC(Br)=CN=1.C[S-].[Na+]>>[CH3:1][S:2][C:5]1[CH:10]=[CH:9][C:8]([S:11][CH3:14])=[CH:7][N:6]=1 | 1 |
CS(=O)(=O)Cl.COC1=CC=C(C=C1)N1CCN(CC1)C=1C(=C(C2=C(CC(O2)(C)CO)C1C)C)C>C1CCCO1.CCN(CC)CC.C(C)(=O)OCC>CS(=O)(=O)OCC1(OC2=C(C1)C(=C(C(=C2C)C)N2CCN(CC2)C2=CC=C(C=C2)OC)C)C | 3 |
CI.N1N=C(C2=CC=CC=C12)C(=O)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CN1N=C(C2=CC=CC=C12)C(=O)OC | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8](=[O:13])[CH2:9][C:10](=[O:12])[CH3:11].CO[CH:16](OC)[N:17]([CH3:19])[CH3:18]>C1(C)C=CC=CC=1>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8](=[O:13])[C:9](=[CH:16][N:17]([CH3:19])[CH3:18])[C:10](=[O:12])[CH3:11] | 1 |
FC1(CCC(CC1)CO)F>>FC1(CCC(CC1)CN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)F | 5 |
Cl[C:2]1[C:7]2[CH:8]=[CH:9][N:10]([CH2:11][CH3:12])[C:6]=2[C:5]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:4][N:3]=1.[Cl:18][C:19]1[CH:20]=[C:21]([CH:23]=[CH:24][CH:25]=1)[NH2:22].CS(O)(=O)=O>O1CCOCC1>[Cl:18][C:19]1[CH:20]=[C:21]([NH:22][C:2]2[C:7]3[CH:8]=[CH:9][N:10]([CH2:11][CH3:12])[C:6]=3[C:5]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[CH:4][N:3]=2)[CH:23]=[CH:24][CH:25]=1 | 1 |
[I-].C[S+](C)(C)=O.[H-].[Na+].[CH3:9][C:10]([C:12]1[CH:17]=[CH:16][CH:15]=[C:14]([O:18][CH3:19])[CH:13]=1)=[O:11].O1CCC[CH2:21]1.CS(C)=O>CS(C)=O>[CH3:19][O:18][C:14]1[CH:13]=[C:12]([C:10]2([CH3:21])[CH2:9][O:11]2)[CH:17]=[CH:16][CH:15]=1 | 1 |
[NH2:1][CH2:2][C:3]1[CH:4]=[CH:5][C:6]([Cl:27])=[C:7]([C:9]2[NH:10][C:11](=[O:26])[N:12]([C:14]3[CH:19]=[CH:18][C:17]([C:20]#[C:21][CH:22]4[CH2:24][CH2:23]4)=[CH:16][C:15]=3[F:25])[N:13]=2)[CH:8]=1.[C:28](Cl)(=[O:33])[C:29]([CH3:32])([CH3:31])[CH3:30]>C1COCC1>[Cl:27][C:6]1[CH:5]=[CH:4][C:3]([CH2:2][NH:1][C:28](=[O:33])[C:29]([CH3:32])([CH3:31])[CH3:30])=[CH:8][C:7]=1[C:9]1[NH:10][C:11](=[O:26])[N:12]([C:14]2[CH:19]=[CH:18][C:17]([C:20]#[C:21][CH:22]3[CH2:24][CH2:23]3)=[CH:16][C:15]=2[F:25])[N:13]=1 | 1 |
C(CCC)[Sn](CCCC)(CCCC)C#N.C[Si](CCOCN(C1=C(C(=NC=2N1N=CC2C=2C=NC(=CC2)C2=CC=CC=C2)C2CCN(CC2)C(=O)OC(C)(C)C)Br)COCC[Si](C)(C)C)(C)C>c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>C[Si](CCOCN(C1=C(C(=NC=2N1N=CC2C=2C=NC(=CC2)C2=CC=CC=C2)C2CCN(CC2)C(=O)OC(C)(C)C)C#N)COCC[Si](C)(C)C)(C)C | 3 |
Cl.ClCCN1CCOCC1.ClC1=CC=C(OC2CCN(CC2)C(=O)C=2C=C3C=CNC3=CC2)C=C1>>ClC1=CC=C(OC2CCN(CC2)C(=O)C=2C=C3C=CN(C3=CC2)CCN2CCOCC2)C=C1 | 5 |
C(C)C1=C(C(=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)C)NC(=O)C=1C=C2CCC(C2=CC1)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC1CCC2=CC(=CC=C12)C(=O)NC1=C(C=C(C=C1C)C(C(F)(F)F)(C(F)(F)F)F)CC | 3 |
[C:1]([C:3]1[N:7]2[N:8]=[C:9]([C:12]3[CH:17]=[CH:16][C:15]([C:18]([N:20]4[CH2:25][CH2:24][O:23][CH2:22][CH2:21]4)=[O:19])=[CH:14][CH:13]=3)[CH:10]=[CH:11][C:6]2=[N:5][CH:4]=1)#[CH:2].I[C:27]1[CH:32]=[CH:31][N:30]=[C:29]([O:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[CH:28]=1>>[O:23]1[CH2:22][CH2:21][N:20]([C:18]([C:15]2[CH:14]=[CH:13][C:12]([C:9]3[CH:10]=[CH:11][C:6]4[N:7]([C:3]([C:1]#[C:2][C:27]5[CH:32]=[CH:31][N:30]=[C:29]([O:33][C:34]6[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=6)[CH:28]=5)=[CH:4][N:5]=4)[N:8]=3)=[CH:17][CH:16]=2)=[O:19])[CH2:25][CH2:24]1 | 2 |
[N:1]1([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:13]=[C:14]([CH:28]=[CH:29][CH:30]=2)[O:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([CH3:27])([CH3:26])[C:21]([O:23]CC)=[O:22])[CH:5]=[CH:4][N:3]=[CH:2]1.[OH-].[Na+]>C(O)C>[N:1]1([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:13]=[C:14]([CH:28]=[CH:29][CH:30]=2)[O:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([CH3:26])([CH3:27])[C:21]([OH:23])=[O:22])[CH:5]=[CH:4][N:3]=[CH:2]1 | 1 |
CS(O)(=O)=O.[NH2:6][CH2:7][C:8]1[CH:9]=[C:10]2[C:14](=[CH:15][CH:16]=1)[C:13](=[O:17])[N:12]([CH:18]1[CH2:23][CH2:22][C:21](=[O:24])[NH:20][C:19]1=[O:25])[CH2:11]2.[C:26](Cl)(=[O:33])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.C(N(CC)CC)C.Cl>C(#N)C>[O:25]=[C:19]1[CH:18]([N:12]2[CH2:11][C:10]3[C:14](=[CH:15][CH:16]=[C:8]([CH2:7][NH:6][C:26](=[O:33])[C:27]4[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=4)[CH:9]=3)[C:13]2=[O:17])[CH2:23][CH2:22][C:21](=[O:24])[NH:20]1 | 1 |
[CH2:1]([O:8][CH2:9][CH:10]1[CH2:21][NH:20][CH2:19][CH:18]([CH2:22][O:23][CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[NH:17][C:16](=O)[CH2:15][S:14][CH2:13][C:12](=O)[NH:11]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl>C1COCC1>[CH2:24]([O:23][CH2:22][CH:18]1[CH2:19][NH:20][CH2:21][CH:10]([CH2:9][O:8][CH2:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[NH:11][CH2:12][CH2:13][S:14][CH2:15][CH2:16][NH:17]1)[C:25]1[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=1 | 1 |
C(C)(C)(C)OC(=O)N[C@H]1CCC[C@H](C(N[C@H](CC=2C=CC=C1C2)C(=O)OC)=O)C>C1CCCO1.[Cl-].[NH4+].[BH4-].[Li+]>OC[C@H]1CC=2C=CC=C([C@H](CCC[C@H](C(N1)=O)C)NC(OC(C)(C)C)=O)C2 | 3 |
C(C)(C)(C)OC(=O)N1CCNCCC1.BrC=1C=C(C=C2C=CC=NC12)CC>>C(C)(C)(C)OC(=O)N1CCN(CCC1)C=1C=C(C=C2C=CC=NC12)CC | 5 |
[C:1]([O:6][CH3:7])(=[O:5])[C:2]([CH3:4])=[CH2:3].N[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.[ClH:15]>C(#N)C>[Cl:15][C:2]([CH3:4])([CH2:3][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)[C:1]([O:6][CH3:7])=[O:5] | 1 |
C1(CC1)C=O.BrC1=CC(=C(C=C1)O)C=1NC2=CC=CC=C2C1Cl>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>BrC=1C=CC2=C(C=3N(C=4C=CC=CC4C3Cl)C(O2)C2CC2)C1 | 3 |
[H][H].[CH:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1>>[CH:5]1[CH2:6][CH2:7][CH2:8][CH:3]=1.[CH:3]1[CH2:8][CH2:7][CH2:6][CH2:5][CH:4]=1 | 2 |
[Br:1][C:2]1[CH:21]=[CH:20][C:5]2[O:6][CH2:7][C:8](=[O:19])[CH2:9][N:10]3[C:18]4[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=4[CH:12]=[C:11]3[C:4]=2[CH:3]=1.[Si]([C:26]([F:29])([F:28])[F:27])(C)(C)C.[F-].[Cs+]>COCCOC.CCCC[N+](CCCC)(CCCC)CCCC.[F-].O>[Br:1][C:2]1[CH:21]=[CH:20][C:5]2[O:6][CH2:7][C:8]([C:26]([F:29])([F:28])[F:27])([OH:19])[CH2:9][N:10]3[C:18]4[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=4[CH:12]=[C:11]3[C:4]=2[CH:3]=1 | 1 |
C([Li])CCC.I[C:7]1[CH:12]=[CH:11][C:10]([I:13])=[CH:9][CH:8]=1.[O:14]1[CH2:20][CH2:19][CH2:18][C:17](=[O:21])[CH2:16][CH2:15]1.[Cl-].[NH4+]>C1COCC1>[I:13][C:10]1[CH:11]=[CH:12][C:7]([C:17]2([OH:21])[CH2:18][CH2:19][CH2:20][O:14][CH2:15][CH2:16]2)=[CH:8][CH:9]=1 | 1 |
BrCCCCl.N1=C(N=CC=C1)N1CCNCC1>O.[OH-].[Na+].CC(=O)C>ClCCCN1CCN(CC1)C1=NC=CC=N1 | 3 |
Cl.[CH3:2][C:3]([C:6]([O:8][CH3:9])=[O:7])([CH3:5])[NH2:4].C([O-])(=O)C.[K+].[CH3:15][CH:16]([CH3:20])[CH2:17][CH:18]=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)(O)[O-].[Na+].C(=O)([O-])[O-].[Na+].[Na+]>ClCCl>[CH3:2][C:3]([C:6]([O:8][CH3:9])=[O:7])([CH3:5])[NH:4][CH2:18][CH2:17][CH:16]([CH3:20])[CH3:15] | 1 |
C(C1=CC=CC=C1)C=1N(N=C2N(C(N(C(C21)=O)C)=O)CC2=CC=C(C=C2)OC)CC2=CC=C(C=C2)C2=CC=CC=C2>O.C1CCCO1.[N+](=O)([O-])[O-].[NH4+].[Ce+4].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]>C(C1=CC=CC=C1)C=1N(N=C2NC(N(C(C21)=O)C)=O)CC2=CC=C(C=C2)C2=CC=CC=C2 | 3 |
CI.C1(=CC=CC=C1)COC(=O)NC1(CC1)C(=O)OC>>CN(C1(CC1)C(=O)OC)C(=O)OCC1=CC=CC=C1 | 5 |
C(=O)OCC.BrC=1C=NN(C1C1=CC=C(C(=N1)C#N)OC1CC1)C>O.C1CCCO1.CC(C)C[AlH]CC(C)C.[O-]S(=O)(=S)[O-].[Na+].[Na+]>BrC=1C=NN(C1C1=CC=C(C(=N1)CNC=O)OC1CC1)C.BrC=1C=NN(C1C1=CC=C(C(=N1)CN)OC1CC1)C | 3 |
[CH2:1]([O:3][C:4](=[O:29])[CH2:5][CH:6]1[C:14]2[C:9](=[C:10]([Br:28])[C:11]([O:16][C:17]3[CH:22]=[CH:21][C:20]([O:23]C)=[C:19]([CH:25]([CH3:27])[CH3:26])[CH:18]=3)=[C:12]([Br:15])[CH:13]=2)[CH2:8][CH2:7]1)[CH3:2]>ClCCl>[CH2:1]([O:3][C:4](=[O:29])[CH2:5][CH:6]1[C:14]2[C:9](=[C:10]([Br:28])[C:11]([O:16][C:17]3[CH:22]=[CH:21][C:20]([OH:23])=[C:19]([CH:25]([CH3:26])[CH3:27])[CH:18]=3)=[C:12]([Br:15])[CH:13]=2)[CH2:8][CH2:7]1)[CH3:2] | 2 |
Br[CH2:2][C:3]([O:5][C:6]([CH3:9])([CH3:8])[CH3:7])=[O:4].[F:10][C:11]([F:23])([F:22])[C:12]1[C:16]([C:17]([O:19][CH2:20][CH3:21])=[O:18])=[CH:15][NH:14][N:13]=1.C(=O)(O)[O-].[Na+]>ClCCl>[C:6]([O:5][C:3](=[O:4])[CH2:2][N:14]1[CH:15]=[C:16]([C:17]([O:19][CH2:20][CH3:21])=[O:18])[C:12]([C:11]([F:10])([F:22])[F:23])=[N:13]1)([CH3:9])([CH3:8])[CH3:7] | 1 |
[F:1][C:2]1[CH:10]=[C:9]([N+:11]([O-:13])=[O:12])[CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].Cl.[CH3:15][NH:16][CH3:17].C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C>CN(C=O)C>[F:1][C:2]1[CH:10]=[C:9]([N+:11]([O-:13])=[O:12])[CH:8]=[CH:7][C:3]=1[C:4]([N:16]([CH3:17])[CH3:15])=[O:5] | 2 |
OC1=C(C=O)C=C(C(=C1)OC)C=1N=NC(=CC1)OC1CC(NC(C1)(C)C)(C)C>ClCCl.CCN(CC)CC.C1=CC=C(C=C1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F>FC(S(=O)(=O)OC1=C(C=C(C(=C1)OC)C=1N=NC(=CC1)OC1CC(NC(C1)(C)C)(C)C)C=O)(F)F | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([C:8]([NH:10][CH3:11])=[O:9])[CH:3]=1.[NH2:12][C:13]1[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][CH:14]=1>>[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([C:8]([NH:10][CH3:11])=[O:9])[CH:3]=1.[CH3:11][NH:10][C:8]([C:4]1[CH:3]=[C:2]([O:19][C:16]2[CH:17]=[CH:18][C:13]([NH2:12])=[CH:14][CH:15]=2)[CH:7]=[CH:6][N:5]=1)=[O:9] | 2 |
Cl[C:2]([O:4][CH3:5])=[O:3].[NH2:6][C@H:7]([C:11]([OH:13])=[O:12])[CH:8]([CH3:10])[CH3:9]>[OH-].[Na+].O1CCOCC1>[CH3:5][O:4][C:2]([NH:6][C@H:7]([C:11]([OH:13])=[O:12])[CH:8]([CH3:10])[CH3:9])=[O:3] | 1 |
NS(C1C=CC(CCN[C:14]([C:16]2[CH:21]=[N:20][C:19]([CH3:22])=[CH:18][N:17]=2)=[O:15])=CC=1)(=O)=O.CC1N=CC([C:30](O)=[O:31])=NC=1>CO>[CH3:30][O:31][C:14]([C:16]1[CH:21]=[N:20][C:19]([CH3:22])=[CH:18][N:17]=1)=[O:15] | 1 |
Br[CH:2]1[CH2:10][CH2:9][C:8]2[NH:7][N:6]=[CH:5][C:4]=2[C:3]1=[O:11].C(=O)([O-])[O-].[Li+].[Li+].[Br-].[Li+]>CN(C)C=O>[NH:7]1[C:8]2[CH:9]=[CH:10][CH:2]=[C:3]([OH:11])[C:4]=2[CH:5]=[N:6]1 | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[CH:5]2.[C:11](Cl)(=[O:15])[C:12]([Cl:14])=[O:13]>C(OCCCC)CCC>[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[C:11](=[O:15])[C:12]([Cl:14])=[O:13] | 1 |
ClC=1C=C(OCC(=O)O)C=C(C1CC1=C(C(=C(C=C1)O)C(C)C)F)Cl>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.CON>ClC=1C=C(OCC(=O)NOC)C=C(C1CC1=C(C(=C(C=C1)O)C(C)C)F)Cl | 3 |
ClC1=CC(=C(NC2=NC=NC3=CC(=C(C=C23)OC)O)C=C1)F.CS(=O)(=O)CCCO>>Cl.ClC1=CC(=C(NC2=NC=NC3=CC(=C(C=C23)OC)OCCCS(=O)(=O)C)C=C1)F | 5 |
[NH2:1][C:2]1[C:3]2[N:4]([C:8]([N:30]3[CH2:35][CH2:34][CH2:33][CH:32]([C:36]([O:38]C)=[O:37])[CH2:31]3)=[N:9][C:10]=2[C:11]2[CH:16]=[CH:15][C:14]([C:17](=[O:29])[NH:18][C:19]3[CH:24]=[C:23]([C:25]([F:28])([F:27])[F:26])[CH:22]=[CH:21][N:20]=3)=[CH:13][CH:12]=2)[CH:5]=[CH:6][N:7]=1.[Li+].[OH-]>C1COCC1.O>[NH2:1][C:2]1[C:3]2[N:4]([C:8]([N:30]3[CH2:35][CH2:34][CH2:33][CH:32]([C:36]([OH:38])=[O:37])[CH2:31]3)=[N:9][C:10]=2[C:11]2[CH:16]=[CH:15][C:14]([C:17](=[O:29])[NH:18][C:19]3[CH:24]=[C:23]([C:25]([F:27])([F:26])[F:28])[CH:22]=[CH:21][N:20]=3)=[CH:13][CH:12]=2)[CH:5]=[CH:6][N:7]=1 | 2 |
[N+](=O)([O-])C=1C=NN(C1)CCCO>>NC=1C=NN(C1)CCCO | 5 |
[F:1][C:2]1[CH:3]=[C:4]2[C:8](=[C:9]([CH2:11][S:12][CH3:13])[CH:10]=1)[NH:7][CH:6]=[CH:5]2.[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([CH:21]([C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=2)O)=[C:17]([CH3:30])[CH:16]=1.FC1C=CC(C(C2C=CC(F)=CC=2)C2C3C(=C(CSC)C=CC=3)NC=2)=CC=1>>[Cl:14][C:15]1[CH:20]=[CH:19][C:18]([CH:21]([C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=2)[C:5]2[C:4]3[C:8](=[C:9]([CH2:11][S:12][CH3:13])[CH:10]=[C:2]([F:1])[CH:3]=3)[NH:7][CH:6]=2)=[C:17]([CH3:30])[CH:16]=1 | 1 |
CN1C=NC=C1C(=O)C=1SC=CC1>>ON=C(C=1SC=CC1)C1=CN=CN1C | 5 |
N[C@@H]1C(N(C=2N(CC1)N=CC2)C)=O.C(C1=CC=CC=C1)N1C=NC(=C1)C(=O)O>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C(C1=CC=CC=C1)N1C=NC(=C1)C(=O)N[C@@H]1C(N(C=2N(CC1)N=CC2)C)=O | 3 |
C(N1C=CN=C1)(N1C=CN=C1)=O.[CH3:13][C:14]1[S:18][C:17]([C:19]([OH:21])=O)=[CH:16][C:15]=1[NH:22][C:23](=[O:31])[CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1.[CH2:32]([NH2:39])[C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1>>[CH2:32]([NH:39][C:19]([C:17]1[S:18][C:14]([CH3:13])=[C:15]([NH:22][C:23](=[O:31])[CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[CH:16]=1)=[O:21])[C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1 | 1 |
BrC=1C=CC(=C(C1)C(C=CC1=CC(=CC=C1)Cl)=O)O>>BrC=1C=C2C(CC(OC2=CC1)C1=CC(=CC=C1)Cl)=O | 5 |
[F:1][C:2]1[C:3]([CH3:25])=[C:4]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([CH:23]=[O:24])[CH:18]=2)[C:5]([CH3:16])=[CH:6][C:7]=1[O:8][CH2:9][CH2:10][CH2:11][S:12]([CH3:15])(=[O:14])=[O:13].CO.[BH4-].[Na+].Cl>O1CCCC1>[F:1][C:2]1[C:3]([CH3:25])=[C:4]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([CH2:23][OH:24])[CH:18]=2)[C:5]([CH3:16])=[CH:6][C:7]=1[O:8][CH2:9][CH2:10][CH2:11][S:12]([CH3:15])(=[O:13])=[O:14] | 1 |
Cl.CON.C(CC)C=1N(C2=C(C=NC=3C=CC=NC23)N1)CCCC=O>>CON=CCCCN1C(=NC=2C=NC=3C=CC=NC3C21)CCC | 5 |
BrCC(=O)C1=CC=C(C=C1)OC.O1COC2=C1C=CC(=C2)CC(C)=NNC(N)=S>C1CCCO1>O1COC2=C1C=CC(=C2)CC(C)=NNC=2SC=C(N2)C2=CC=C(C=C2)OC | 3 |
[Br:1][C:2]1[C:3](F)=[C:4]([C:7]([F:10])=[CH:8][CH:9]=1)[CH:5]=[O:6].[CH3:12][C:13]([SH:16])([CH3:15])[CH3:14].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[Br:1][C:2]1[C:3]([S:16][C:13]([CH3:15])([CH3:14])[CH3:12])=[C:4]([C:7]([F:10])=[CH:8][CH:9]=1)[CH:5]=[O:6] | 1 |
[C:1]([N:8]1[CH2:13][CH2:12][CH:11]([CH:14]=O)[CH2:10][CH2:9]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].[NH2:16][C:17]1[CH:32]=[CH:31][C:30]([F:33])=[CH:29][C:18]=1[C:19]([NH:21][C:22]1[CH:27]=[CH:26][C:25]([Cl:28])=[CH:24][N:23]=1)=[O:20].C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1.O>C1C=CC=CC=1>[C:1]([N:8]1[CH2:9][CH2:10][CH:11]([CH:14]=[N:16][C:17]2[CH:32]=[CH:31][C:30]([F:33])=[CH:29][C:18]=2[C:19]([NH:21][C:22]2[CH:27]=[CH:26][C:25]([Cl:28])=[CH:24][N:23]=2)=[O:20])[CH2:12][CH2:13]1)([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])=[O:2] | 1 |
[C:1]([O:4][CH:5]([CH3:25])[CH2:6][CH2:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[CH:19]=[CH:18][C:17]([O:20][Si](C)(C)C)=[CH:16][N:15]=2)=[CH:10][CH:9]=1)(=[O:3])[CH3:2].P([O-])([O-])([O-])=[O:27]>C(Cl)(Cl)Cl>[OH:4][CH:5]([CH3:25])[CH2:6][CH2:7][C:8]1[CH:9]=[CH:10][C:11]([C:14]2[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][N:15]=2)=[CH:12][CH:13]=1.[C:1]([O:4][CH:5]([CH3:25])[CH2:6][CH2:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2([OH:27])[CH:19]=[CH:18][CH:17]=[CH:16][NH:15]2)=[CH:10][CH:9]=1)(=[O:3])[CH3:2] | 1 |
ON1C(C=2C(C1=O)=CC=CC2)=O.ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC1=CC=C(C=C1)N1CCNCC1>>COC1=CC=C(C=C1)N1CCN(CC1)C(=O)ON1C(C2=CC=CC=C2C1=O)=O | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([OH:9])[C:5]([Cl:8])=[N:6][CH:7]=1.[F:10][CH:11](O)[CH2:12][CH2:13][CH3:14].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>O1CCCC1>[Br:1][C:2]1[CH:3]=[C:4]([O:9][CH2:14][CH2:13][CH2:12][CH2:11][F:10])[C:5]([Cl:8])=[N:6][CH:7]=1 | 2 |
C1(N=C=NC2CCCCC2)CCCCC1.[C:16]([OH:25])(=O)[C:17]1[CH:22]=[CH:21][CH:20]=[N+:19]([O-])[CH:18]=1.[NH2:26][CH2:27][C:28]1[O:32][C:31]([C:33]2[N:34]=[C:35]([N:38]=[C:39]([NH2:41])[NH2:40])[S:36][CH:37]=2)=[CH:30][CH:29]=1.CN(C)C=[O:45]>>[NH2:40][C:39](=[N:38][C:35]1[S:36][CH:37]=[C:33]([C:31]2[O:32][C:28]([C:27]([NH:26][C:16](=[O:25])[C:17]3[CH:22]=[CH:21][CH:20]=[N:19][CH:18]=3)=[O:45])=[CH:29][CH:30]=2)[N:34]=1)[NH2:41] | 1 |
CO.C([O:5][C:6](=[O:47])[CH2:7][O:8][C:9]1[CH:18]=[CH:17][CH:16]=[C:15]2[C:10]=1[CH:11]=[CH:12][C:13](=[O:46])[N:14]2[CH2:19][CH2:20][N:21]1[CH2:26][CH2:25][CH:24]([N:27]([C:39]([O:41][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:40])[CH2:28][C:29]2[CH:38]=[CH:37][C:32]3[O:33][CH2:34][CH2:35][O:36][C:31]=3[CH:30]=2)[CH2:23][CH2:22]1)C.[OH-].[Na+].Cl>O>[C:42]([O:41][C:39]([N:27]([CH2:28][C:29]1[CH:38]=[CH:37][C:32]2[O:33][CH2:34][CH2:35][O:36][C:31]=2[CH:30]=1)[CH:24]1[CH2:23][CH2:22][N:21]([CH2:20][CH2:19][N:14]2[C:15]3[C:10](=[C:9]([O:8][CH2:7][C:6]([OH:47])=[O:5])[CH:18]=[CH:17][CH:16]=3)[CH:11]=[CH:12][C:13]2=[O:46])[CH2:26][CH2:25]1)=[O:40])([CH3:45])([CH3:43])[CH3:44] | 1 |
[H-].[Na+].[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([CH2:10][C:11]#[N:12])=[CH:6][CH:5]=1.Cl[C:14]1[CH:15]=[CH:16][C:17]([N+:24]([O-:26])=[O:25])=[C:18]([CH:23]=1)[C:19]([O:21][CH3:22])=[O:20].C(OC(C)C)(C)C>CN(C=O)C>[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([CH:10]([C:11]#[N:12])[C:14]2[CH:15]=[CH:16][C:17]([N+:24]([O-:26])=[O:25])=[C:18]([CH:23]=2)[C:19]([O:21][CH3:22])=[O:20])=[CH:6][CH:5]=1 | 2 |
FC1=C(C#N)C=C(C=C1)OC=1C(=C2C=CN(C2=CC1F)S(=O)(=O)C1=CC=C(C)C=C1)SC>O(O[H])[H].C1CCCO1.C(C)(=O)OCC.C(C)(=O)O>FC1=C(C#N)C=C(C=C1)OC=1C(=C2C=CN(C2=CC1F)S(=O)(=O)C1=CC=C(C)C=C1)S(=O)C | 3 |
ClC1=CC=CC(=N1)NC(OC(C)(C)C)=O>>C(C)(C)(C)OC(NC1=NC(=CC=C1C=O)Cl)=O | 5 |
[F:1][CH:2]([F:33])[C:3]1[N:7]([C:8]2[N:13]=[C:12]([N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[N:11]=[C:10]([N:20]3[CH2:25][CH2:24][CH:23]([NH2:26])[CH2:22][CH2:21]3)[N:9]=2)[C:6]2[CH:27]=[CH:28][CH:29]=[C:30]([O:31][CH3:32])[C:5]=2[N:4]=1.[Cl:34][CH2:35][S:36](Cl)(=[O:38])=[O:37].C([O-])([O-])=O.[K+].[K+]>C(Cl)Cl>[Cl:34][CH2:35][S:36]([NH:26][CH:23]1[CH2:24][CH2:25][N:20]([C:10]2[N:9]=[C:8]([N:7]3[C:6]4[CH:27]=[CH:28][CH:29]=[C:30]([O:31][CH3:32])[C:5]=4[N:4]=[C:3]3[CH:2]([F:1])[F:33])[N:13]=[C:12]([N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[N:11]=2)[CH2:21][CH2:22]1)(=[O:38])=[O:37] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:16]2[CH2:15][CH2:14][NH:13][C:12](=O)[C:11]=2[C:10]([CH3:18])=[C:9]1[C:19]1[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][CH:20]=1.CO>O1CCCC1>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:16]2[CH2:15][CH2:14][NH:13][CH2:12][C:11]=2[C:10]([CH3:18])=[C:9]1[C:19]1[CH:20]=[CH:21][C:22]([Cl:25])=[CH:23][CH:24]=1 | 1 |
O(C(C)(C)C)C.[Na+].C1(=CC=C(C=C1)S(=O)[O-])C>>C1(=CC=C(C=C1)S(=O)O)C | 5 |
NC=1C(NC(=NC1)C1=C(C=CC=C1)OCCC)=O>C(C)(=O)OC(C)=O.C(C)(=O)O>C(C)(=O)NC=1C(NC(=NC1)C1=C(C=CC=C1)OCCC)=O | 3 |
CN1C(=NC2=C1C(=CC=C2)\C=C\CCC)N>>CN1C(NC2=C1C(=CC=C2)CCCCC)=N | 5 |
[C:1]1([NH:7][C:8](=O)[CH2:9][CH3:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.N1C=CC=CC=1.P(Cl)(Cl)([Cl:20])=O>ClCCl>[C:1]1([N:7]=[C:8]([Cl:20])[CH2:9][CH3:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
Cl[C:2]1[N:3]=[C:4]([NH:14][CH3:15])[C:5]2[S:10][CH:9]=[C:8]([CH:11]([CH3:13])[CH3:12])[C:6]=2[N:7]=1.[CH2:16]([NH2:19])[CH:17]=[CH2:18].C(=O)([O-])O.[Na+]>>[CH2:16]([NH:19][C:2]1[N:3]=[C:4]([NH:14][CH3:15])[C:5]2[S:10][CH:9]=[C:8]([CH:11]([CH3:13])[CH3:12])[C:6]=2[N:7]=1)[CH:17]=[CH2:18] | 1 |
[C:1]1([CH:7]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[CH2:11][CH2:10][NH:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[CH2:19][CH2:20][CH2:21][CH2:22][N:23]1[C:27](=[O:28])[C:26]2=[CH:29][CH:30]=[CH:31][CH:32]=[C:25]2[C:24]1=[O:33].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C>[C:1]1([CH:7]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[CH2:11][CH2:10][N:9]([CH2:19][CH2:20][CH2:21][CH2:22][N:23]3[C:27](=[O:28])[C:26]4[C:25](=[CH:32][CH:31]=[CH:30][CH:29]=4)[C:24]3=[O:33])[CH2:8]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
BrCC(=O)OC(C)(C)C.N1C(NCC1)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>O=C1N(CCN1)CC(=O)OC(C)(C)C | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([OH:17])[CH:5]=[CH:6][C:7]=1/[CH:8]=[CH:9]/[C:10]1[CH:15]=[CH:14][C:13]([OH:16])=[CH:12][CH:11]=1.[C:18](OC(=O)C)(=[O:20])[CH3:19].CCN(CC)CC.O>C1COCC1.CO>[OH:17][C:4]1[CH:5]=[CH:6][C:7](/[CH:8]=[CH:9]/[C:10]2[CH:15]=[CH:14][C:13]([OH:16])=[CH:12][CH:11]=2)=[C:2]([NH:1][C:18](=[O:20])[CH3:19])[CH:3]=1 | 1 |
C(C)OC(=O)[C@H]1[C@@H](CCC1)C(=O)OCC>O.CCO[H].Cl.[OH-].[K+]>C(C)OC(=O)[C@H]1[C@@H](CCC1)C(=O)O | 3 |
BrCCCO[Si](C)(C)C(C)(C)C.ClC1=CC=C2C(=N1)C(NC2=O)(C)C>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+]>[Si](C)(C)(C(C)(C)C)OCCCN1C(C2=NC(=CC=C2C1=O)Cl)(C)C | 3 |
BrC=1C=C(C=CC1)SCC(=O)OCC>>BrC=1C=C(C=CC1)S(=O)(=O)CC(=O)OCC | 5 |
C(#N)CC(=O)OCC.NC1=C(C(=O)C2=CC=CC=C2)C=CC(=C1)OC>C1(=CC=CC=C1)C.N1CCCCC1>COC1=CC=C2C(=C(C(NC2=C1)=O)C#N)C1=CC=CC=C1 | 3 |
CB(O)O.O1CCOC[CH2:6]1.Br[C:12]1[O:16][C:15]([C:17]2[N:18]=[C:19]([NH2:35])[C:20]3[CH:25]=[C:24]([CH2:26][N:27]4[CH:32]([CH3:33])[CH2:31][CH2:30][CH2:29][CH:28]4[CH3:34])[S:23][C:21]=3[N:22]=2)=[CH:14][CH:13]=1.C([O-])([O-])=O.[K+].[K+]>CCOC(C)=O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].O>[CH3:34][CH:28]1[CH2:29][CH2:30][CH2:31][CH:32]([CH3:33])[N:27]1[CH2:26][C:24]1[S:23][C:21]2[N:22]=[C:17]([C:15]3[O:16][C:12]([CH3:6])=[CH:13][CH:14]=3)[N:18]=[C:19]([NH2:35])[C:20]=2[CH:25]=1 | 2 |
[NH2:1][C:2]1[C:3](=[O:13])[N:4]([CH2:10][CH2:11][CH3:12])[C:5](=[O:9])[NH:6][C:7]=1[NH2:8].[Cl:14][C:15]1[CH:23]=[CH:22][C:18]([C:19](O)=[O:20])=[CH:17][N:16]=1.CCN=C=NCCCN(C)C.Cl>CO>[NH2:8][C:7]1[NH:6][C:5](=[O:9])[N:4]([CH2:10][CH2:11][CH3:12])[C:3](=[O:13])[C:2]=1[NH:1][C:19](=[O:20])[C:18]1[CH:22]=[CH:23][C:15]([Cl:14])=[N:16][CH:17]=1 | 1 |
[NH2:1][CH2:2][C:3]1[CH:8]=[C:7]([C:9]([O:11][CH3:12])=[O:10])[CH:6]=[C:5]([CH2:13][OH:14])[N:4]=1.[CH2:15]([C:17]1[N:21]([CH2:22][C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=2)[C:20]([CH:30]=O)=[N:19][CH:18]=1)[CH3:16]>>[CH2:15]([C:17]1[N:21]([CH2:22][C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=2)[C:20]([CH2:30][NH:1][CH2:2][C:3]2[CH:8]=[C:7]([C:9]([O:11][CH3:12])=[O:10])[CH:6]=[C:5]([CH2:13][OH:14])[N:4]=2)=[N:19][CH:18]=1)[CH3:16] | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([N+:18]([O-])=O)[CH:5]=[C:6]([Cl:17])[C:7]=1[O:8][C:9]1[CH:14]=[CH:13][C:12]([O:15][CH3:16])=[CH:11][CH:10]=1.N>Cl.CCO.C(OCC)(=O)C>[Cl:1][C:2]1[CH:3]=[C:4]([NH2:18])[CH:5]=[C:6]([Cl:17])[C:7]=1[O:8][C:9]1[CH:10]=[CH:11][C:12]([O:15][CH3:16])=[CH:13][CH:14]=1 | 1 |
[OH:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([C:8]([F:11])([F:10])[F:9])[CH:3]=1.[CH2:12]([C:14]1[CH:19]=[C:18](S(C)(=O)=O)[N:17]=[C:16]([CH2:24][NH:25][C:26]([CH:28]2[CH2:30][CH2:29]2)=[O:27])[N:15]=1)[CH3:13].C([O-])([O-])=O.[K+].[K+].O>C(#N)C>[CH2:12]([C:14]1[CH:19]=[C:18]([O:1][C:2]2[CH:7]=[CH:6][N:5]=[C:4]([C:8]([F:11])([F:9])[F:10])[CH:3]=2)[N:17]=[C:16]([CH2:24][NH:25][C:26]([CH:28]2[CH2:29][CH2:30]2)=[O:27])[N:15]=1)[CH3:13] | 2 |
C(C)(=O)N1CCNCC1>N(C)(C)C=O.Cl.C([O-])([O-])=O.[K+].[K+]>C(C)(=O)N1CCN(CC1)CC1=CC=C(C=C1)NC(C1=CC=C(C=C1)Cl)=O | 3 |
Cl.NC1=NC=2C=CC=CC2C2=C1N=C(N2CCCCNS(=O)(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCCC>>Cl.NC1=NC=2C=CC=CC2C2=C1N=C(N2CCCCNS(=O)(=O)C2=CC(=CC=C2)N)CCCC | 5 |
ClCC=O.ClC1=CC=CC2=NC(=C3C=CC=CC3=C12)N>C(O)([O-])=O.[Na+].CC(C)O>ClC1=CC=CC=2N3C(C=4C=CC=CC4C12)=NC=C3 | 3 |
Br[C:2]1[N:3]=[C:4]([S:11][CH3:12])[C:5]2[N:6]([CH:8]=[CH:9][N:10]=2)[CH:7]=1.C(=O)([O-])[O-].[K+].[K+].[C:19]1(B(O)O)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>C(O)CC.CN1C(=O)CCC1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.Cl[Pd]Cl.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[CH3:12][S:11][C:4]1[C:5]2[N:6]([CH:8]=[CH:9][N:10]=2)[CH:7]=[C:2]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[N:3]=1 | 2 |
[F:1][C:2]1[C:7]([O:8][CH3:9])=[CH:6][C:5]([O:10][CH3:11])=[C:4]([F:12])[C:3]=1[C:13]1[N:18]=[CH:17][C:16]2[C:19](I)=[N:20][NH:21][C:15]=2[CH:14]=1.[CH3:23][N:24]1[CH2:29][CH2:28][N:27]([C:30]([CH:32]2[CH2:36][C:35]3[CH:37]=[C:38](B4OC(C)(C)C(C)(C)O4)[CH:39]=[CH:40][C:34]=3[O:33]2)=[O:31])[CH2:26][CH2:25]1>>[F:1][C:2]1[C:7]([O:8][CH3:9])=[CH:6][C:5]([O:10][CH3:11])=[C:4]([F:12])[C:3]=1[C:13]1[N:18]=[CH:17][C:16]2[C:19]([C:38]3[CH:39]=[CH:40][C:34]4[O:33][CH:32]([C:30]([N:27]5[CH2:28][CH2:29][N:24]([CH3:23])[CH2:25][CH2:26]5)=[O:31])[CH2:36][C:35]=4[CH:37]=3)=[N:20][NH:21][C:15]=2[CH:14]=1 | 1 |
C1(CC1)C(=O)N>O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(#N)C=1C(=C(C=CC1)NC1=C(N=NC(=C1)NC(=O)C1CC1)C(=O)NC([2H])([2H])[2H])OC | 3 |
C(OC(=O)[NH:7][CH:8]1[CH2:12][CH2:11][N:10]([C:13]2[CH:14]=[N:15][C:16]([O:22][C:23]3[CH:28]=[CH:27][C:26]([O:29][C:30]4[CH:35]=[CH:34][CH:33]=[C:32]([F:36])[CH:31]=4)=[CH:25][CH:24]=3)=[C:17]([C:19](=[O:21])[NH2:20])[CH:18]=2)[CH2:9]1)(C)(C)C.Cl>C(Cl)Cl.O1CCOCC1>[NH2:7][CH:8]1[CH2:12][CH2:11][N:10]([C:13]2[CH:14]=[N:15][C:16]([O:22][C:23]3[CH:24]=[CH:25][C:26]([O:29][C:30]4[CH:35]=[CH:34][CH:33]=[C:32]([F:36])[CH:31]=4)=[CH:27][CH:28]=3)=[C:17]([CH:18]=2)[C:19]([NH2:20])=[O:21])[CH2:9]1 | 2 |
C1(CCCCC1)C[C@@H](C(=O)NC(C(=O)OC)CC1C(NC2(C1)CCCCC2)=O)NC(=O)C=2NC1=CC=CC=C1C2>O.C1CCCO1.[OH-].[Li+]>C1(CCCCC1)C[C@@H](C(=O)NC(C(=O)O)CC1C(NC2(C1)CCCCC2)=O)NC(=O)C=2NC1=CC=CC=C1C2 | 3 |
FC(C1=CC=C(C=C1)B(O)O)(F)F.BrC=1C(=NC(=C(C#N)C1)N1C[C@H](N(CC1)C(CCOC)=O)C)C(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)(C)C1=NC(=C(C#N)C=C1C1=CC=C(C=C1)C(F)(F)F)N1C[C@H](N(CC1)C(CCOC)=O)C | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[C:10]3[CH:15]=[CH:14][C:13]([N:16]4[CH2:21][CH2:20][N:19]([CH3:22])[CH2:18][CH2:17]4)=[N:12][N:11]3[C:23]=2[C:24]2[CH:29]=[CH:28][N:27]=[C:26](F)[CH:25]=2)=[CH:4][CH:3]=1.[CH3:31][NH:32][CH3:33]>O>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]=[C:10]3[CH:15]=[CH:14][C:13]([N:16]4[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]4)=[N:12][N:11]3[C:23]=2[C:24]2[CH:29]=[CH:28][N:27]=[C:26]([N:32]([CH3:33])[CH3:31])[CH:25]=2)=[CH:4][CH:3]=1 | 1 |
[O:1]1[C:5]2([CH2:10][CH2:9][C:8](=[O:11])[CH2:7][CH2:6]2)[O:4][CH2:3][CH2:2]1.[BH4-].[Na+].O>C(O)C>[O:1]1[C:5]2([CH2:10][CH2:9][CH:8]([OH:11])[CH2:7][CH2:6]2)[O:4][CH2:3][CH2:2]1 | 1 |
C(C)(C)(C)OC(NC1C(NOC1)=O)=O>>C(C)(C)(C)OC(N[C@H]1C(N(OC1)CC)=O)=O | 5 |
NC(=S)N.ClC1C(CCC1)=O>O1CCOCC1>S1C(=NC2=C1CCC2)N | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([O:12][C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][C:14]=1[C:20](=[O:22])[CH3:21])[C:6]([CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)=[CH:5]2.N([O-])=O.[Na+].[N-:34]=[N+:35]=[N-].[Na+].C([O-])(=O)C.[Na+]>Cl.O.ClCCl>[N:1]([C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([O:12][C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][C:14]=1[C:20](=[O:22])[CH3:21])[C:6]([CH2:23][C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=1)=[CH:5]2)=[N+:34]=[N-:35] | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12]([OH:13])=[CH:11][C:10]([CH2:14][C:15]([O:17][CH3:18])=[O:16])=[N:9]1.C(O)(=O)C.[CH3:23][C:24](OCC)(OCC)[O:25][CH2:26][CH3:27]>>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:12](=[O:13])/[C:11](=[C:24](/[O:25][CH2:26][CH3:27])\[CH3:23])/[C:10]([CH2:14][C:15]([O:17][CH3:18])=[O:16])=[N:9]1 | 2 |
B.[F:2][CH:3]([F:16])[O:4][C:5]1[CH:6]=[C:7]([CH2:11][CH2:12][C:13](O)=[O:14])[CH:8]=[CH:9][CH:10]=1>>[F:2][CH:3]([F:16])[O:4][C:5]1[CH:6]=[C:7]([CH2:11][CH2:12][CH2:13][OH:14])[CH:8]=[CH:9][CH:10]=1 | 2 |
CC1=NOC(=C1C)NC(OCC(Cl)(Cl)Cl)=O.C1(=CC=CC=C1)C1=NN=C(O1)C1CCNCC1>>CC1=NOC(=C1C)NC(=O)N1CCC(CC1)C=1OC(=NN1)C1=CC=CC=C1 | 5 |
Cl[C:2]1[N:11]=[C:10]([NH:12][CH2:13][CH:14]([CH:21]2[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]2)[C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[CH3:27][N:28]([CH3:44])[C:29]1[CH:34]=[CH:33][C:32](B2OC(C)(C)C(C)(C)O2)=[CH:31][CH:30]=1.C1(C(C2C=CC=CN=2)CNC2C3C(=CC=CC=3)N=C(C3C=CC(NS(C)(=O)=O)=CC=3)N=2)C=CC=CC=1>C1CCCCC1.CCOC(C)=O>[CH:21]1([CH:14]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:13][NH:12][C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[N:3]=[C:2]([C:32]3[CH:33]=[CH:34][C:29]([N:28]([CH3:44])[CH3:27])=[CH:30][CH:31]=3)[N:11]=2)[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1 | 2 |
Cl.N[C@@H]1CC[C@H](CC1)OC1=CC(=CC=2C(NCC3=C(CC\C=C/CC21)C=C(NC3=O)C)=O)Cl>CO[H].C=O.C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC=1C=C(C2=C(C(NCC3=C(CC\C=C/C2)C=C(NC3=O)C)=O)C1)O[C@@H]1CC[C@H](CC1)N(C)C | 3 |
ClCC(=O)OCC.NC1=NC=CC(=C1)C>CCO[H]>C(C)OC(=O)C1=C(N=C2N1C=CC(=C2)C)C | 3 |
C(C)(=O)OC1=CC=C(C(=O)O)C=C1>N(C)(C)C=O.ClCCl.C(C(=O)Cl)(=O)Cl>C(C)(=O)OC1=CC=C(C(=O)Cl)C=C1 | 3 |
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