smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH3:1][C:2]([NH:4][C:5]1[C:10]([I:11])=[C:9]([NH:12][C:13]([CH3:15])=[O:14])[C:8]([I:16])=[C:7]([C:17]([O-:19])=[O:18])[C:6]=1[I:20])=[O:3].[Na+].Br[CH:23]([CH2:29][CH3:30])[C:24]([O:26][CH2:27][CH3:28])=[O:25].[OH-].[NH4+]>CN(C)C=O>[C:13]([NH:12][C:9]1[C:8]([I:16])=[C:7]([C:6]([I:20])=[C:5]([NH:4][C:2](=[O:3])[CH3:1])[C:10]=1[I:11])[C:17]([O:19][CH:23]([CH2:29][CH3:30])[C:24]([O:26][CH2:27][CH3:28])=[O:25])=[O:18])(=[O:14])[CH3:15] | 1 |
C(C)OC1(CC1)O[Si](C)(C)C.[N+](=O)([O-])C1=CC=C2CCNCC2=C1>>C1(CC1)N1CC2=CC(=CC=C2CC1)[N+](=O)[O-] | 5 |
BrCCCOC.BrCCC1CC1>C1CCCO1.C(C)OCC.CC(=O)C.[Mg].COB(OC)OC.BrC(C)Br.F[H-]F.[K+]>COCCC[B-](F)(F)F.[K+] | 3 |
Cl.Cl.CNC[C@@H](O)C1=NC=CC=N1.ClC1=CC=C(CNC(=O)C=2C(C3=C(N(C2)C)OC(=C3)CCl)=O)C=C1>>ClC1=CC=C(CNC(=O)C=2C(C3=C(N(C2)C)OC(=C3)CN(C)CC(C3=NC=CC=N3)O)=O)C=C1 | 5 |
[O:1]1[CH2:6][CH2:5][C:4](=[CH:7][C:8]([O:10][CH2:11][CH3:12])=O)[CH2:3][CH2:2]1.[H-].C([Al+]CC(C)C)C(C)C.CCCCCC.Cl.[O:30]1CCCC1>>[C:11]([O:10][CH2:8][CH:7]=[C:4]1[CH2:5][CH2:6][O:1][CH2:2][CH2:3]1)(=[O:30])[CH3:12] | 2 |
C1=CC(=CC=C1/C=N/O)F.C(C)(=O)OCC#C>>C(C)(=O)OCC1=CC(=NO1)C1=CC=C(C=C1)F | 5 |
S1C(=CC=C1)C(=O)OCC.FC(C=1C=C(C(=O)C2=CC(=CC=C2)C(F)(F)F)C=CC1)(F)F>>OC(C1=CC=C(S1)C(=O)OCC)(C1=CC(=CC=C1)C(F)(F)F)C1=CC(=CC=C1)C(F)(F)F | 5 |
CN(C1CN(CC1)C(=O)OC(C)(C)C)C1=CC(=CC=C1)NS(=O)(=O)C>Cl.O1CCOCC1>CN(C=1C=C(C=CC1)NS(=O)(=O)C)C1CNCC1 | 3 |
[CH3:1][N:2]1[NH:6][CH:5]=[CH:4]O1.[Li]CCCC.[Mg+2].[Br-].[Br-].CC[O:17]CC.[O:20]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH:33]=[O:34])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>C1COCC1>[O:20]([CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH:33]([C:1]1[O:17][C:5]([CH3:4])=[N:6][N:2]=1)[OH:34])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1 | 1 |
[C:1]([N:9]=[C:10]=[S:11])(=O)[C:2]1C=CC=CC=1.[NH2:12][C:13]1[C:14]([CH3:23])=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]=[CH:18][CH:17]=[N:16]2.C(N)C[NH2:26]>CC(C)=O.C1(C)C=CC=CC=1>[NH2:26][CH2:2][CH2:1][NH:9][C:10](=[S:11])[NH:12][C:13]1[C:14]([CH3:23])=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]=[CH:18][CH:17]=[N:16]2 | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:10]([C:12]2[CH:17]=[CH:16][C:15](Br)=[CH:14][CH:13]=2)=[O:11])=[O:9])=[CH:4][CH:3]=1.C([O-])([O-])=O.[K+].[K+].[Li+].[Cl-].[CH2:27]=[CH:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1>[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-].CC([O-])=O.CC([O-])=O.[Pd+2].CN(C=O)C>[CH:27]([C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:9])[C:10]([C:12]2[CH:17]=[CH:16][C:15]([CH:10]=[CH:8][C:5]3[CH:6]=[CH:7][CH:2]=[CH:3][CH:4]=3)=[CH:14][CH:13]=2)=[O:11])=[CH:4][CH:3]=1)=[CH:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1 | 1 |
Cl.NN.COC=1C=C(C=NC1)CCC(=O)OC>>COC=1C=C(C=NC1)CCC1=CC(=NN1)N | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[CH:10][C:11]3[CH2:17][CH2:16][CH2:15][C:14]([C:18]([NH:20][C:21]4[CH:26]=[CH:25][C:24]([CH2:27][N:28]([CH:30]5[CH2:35][CH2:34][O:33][CH2:32][CH2:31]5)[CH3:29])=[CH:23][CH:22]=4)=[O:19])=[CH:13][C:12]=3[CH:36]=2)=[CH:4][CH:3]=1.[CH3:37][I:38]>CN(C)C=O>[I-:38].[CH3:29][N+:28]([CH3:37])([CH2:27][C:24]1[CH:25]=[CH:26][C:21]([NH:20][C:18]([C:14]2[CH2:15][CH2:16][CH2:17][C:11]3[CH:10]=[CH:9][C:8]([C:5]4[CH:6]=[CH:7][C:2]([CH3:1])=[CH:3][CH:4]=4)=[CH:36][C:12]=3[CH:13]=2)=[O:19])=[CH:22][CH:23]=1)[CH:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1 | 1 |
P([O-])(=O)(OP(=O)([O-])OP(=O)(O)O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N1C=NC=2C(N)=NC=NC12)O)O.[Na+].[Na+]>[Br-].C(C)[N+](CC)(CC)CC>C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP4(=O)OP(=O)(OP(=O)(O4)O)O)O)O | 3 |
COC1=C(C=CC(=C1)OC)CNC(=O)C1=CC2=C(C(=N1)C=1N(C=C(N1)C1=CC(=NN1CCC=O)C)C)C=NN2C>C1CCCO1.CC(C)(C)O.Cl(=O)[O-].[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+].CC(C)=CC.S([O-])(O)(=O)=O.[Na+].P(=O)(O)(O)[O-].[Na+]>COC1=C(C=CC(=C1)OC)CNC(=O)C1=CC2=C(C(=N1)C=1N(C=C(N1)C1=CC(=NN1CCC(=O)O)C)C)C=NN2C | 3 |
[CH3:1][C:2]1[CH:10]=[C:9]([N+:11]([O-:13])=[O:12])[C:8]([CH3:14])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].S(Cl)(Cl)=O.[CH3:19]O>>[CH3:1][C:2]1[CH:10]=[C:9]([N+:11]([O-:13])=[O:12])[C:8]([CH3:14])=[CH:7][C:3]=1[C:4]([O:6][CH3:19])=[O:5] | 1 |
[Si](C)(C)(C(C)(C)C)OC1CN(CC1)C[C@H](C1=CC(=CC=C1)C1=NOC(=N1)C(F)(F)F)N(C(OCC1=CC=CC=C1)=O)C>CO[H].Cl>CN[C@H](CN1C[C@H](CC1)O)C1=CC(=CC=C1)C1=NOC(=N1)C(F)(F)F | 3 |
C1N2CN3CN(C2)CN1C3.C(Cl)(Cl)Cl.Br[CH2:16][C:17]1[CH:30]=[CH:29][C:20]([C:21]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[O:22])=[CH:19][CH:18]=1.C([O:33]CC)C>>[CH:16]([C:17]1[CH:30]=[CH:29][C:20]([C:21]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[O:22])=[CH:19][CH:18]=1)=[O:33] | 2 |
[C:1]1([CH2:7][CH2:8][NH:9][C:10]2[CH:16]=[CH:15][C:14]([C:17]3[O:18][C:19]4[CH:25]=[CH:24][CH:23]=[CH:22][C:20]=4[N:21]=3)=[CH:13][C:11]=2[NH2:12])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CO[C:28](OC)(OC)[CH3:29]>CO>[O:18]1[C:19]2[CH:25]=[CH:24][CH:23]=[CH:22][C:20]=2[N:21]=[C:17]1[C:14]1[CH:15]=[CH:16][C:10]2[N:9]([CH2:8][CH2:7][C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)[C:28]([CH3:29])=[N:12][C:11]=2[CH:13]=1 | 1 |
[F:1][C:2]1[C:3]([C:28]2[CH:33]=[C:32]([F:34])[CH:31]=[CH:30][C:29]=2[O:35][CH3:36])=[C:4]2[CH:10]=[C:9]([C:11]3[CH2:16][CH2:15][N:14]([CH:17]4[CH2:22][CH2:21][CH:20]([CH2:23][C:24]([O:26]C)=[O:25])[CH2:19][CH2:18]4)[CH2:13][CH:12]=3)[NH:8][C:5]2=[N:6][CH:7]=1.[OH-].[Li+].O>O1CCCC1.CO>[F:1][C:2]1[C:3]([C:28]2[CH:33]=[C:32]([F:34])[CH:31]=[CH:30][C:29]=2[O:35][CH3:36])=[C:4]2[CH:10]=[C:9]([C:11]3[CH2:16][CH2:15][N:14]([CH:17]4[CH2:22][CH2:21][CH:20]([CH2:23][C:24]([OH:26])=[O:25])[CH2:19][CH2:18]4)[CH2:13][CH:12]=3)[NH:8][C:5]2=[N:6][CH:7]=1 | 1 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[N:11]1[C:15](=[O:16])[NH:14][N:13]=[N:12]1.[CH3:17]N(C=O)C.C([O-])([O-])=O.[K+].[K+].IC>O.C(OCC)(=O)C>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[N:11]1[C:15](=[O:16])[N:14]([CH3:17])[N:13]=[N:12]1 | 2 |
[ClH:1].FC(F)(F)C(O)=O.[CH2:9]([N:11]([CH2:64][CH3:65])[CH2:12][CH2:13][NH:14][C:15]([C:17]1[CH:18]=[CH:19][C:20]([CH3:63])=[C:21]([C:23]2[CH:28]=[CH:27][C:26]([CH2:29][C@H:30]([NH:45][C:46]([C@H:48]3[CH2:53][CH2:52][C@H:51]([CH2:54][NH:55]C(=O)OC(C)(C)C)[CH2:50][CH2:49]3)=[O:47])[C:31](=[O:44])[NH:32][C:33]3[CH:38]=[CH:37][C:36]([C:39]4[N:40]=[N:41][NH:42][N:43]=4)=[CH:35][CH:34]=3)=[CH:25][CH:24]=2)[CH:22]=1)=[O:16])[CH3:10]>O1CCOCC1>[ClH:1].[NH2:55][CH2:54][C@H:51]1[CH2:52][CH2:53][C@H:48]([C:46]([NH:45][C@H:30]([C:31](=[O:44])[NH:32][C:33]2[CH:38]=[CH:37][C:36]([C:39]3[N:40]=[N:41][NH:42][N:43]=3)=[CH:35][CH:34]=2)[CH2:29][C:26]2[CH:25]=[CH:24][C:23]([C:21]3[C:20]([CH3:63])=[CH:19][CH:18]=[C:17]([C:15]([NH:14][CH2:13][CH2:12][N:11]([CH2:64][CH3:65])[CH2:9][CH3:10])=[O:16])[CH:22]=3)=[CH:28][CH:27]=2)=[O:47])[CH2:49][CH2:50]1 | 2 |
C(C)(C)C1=C(C(=C(C=C1)S(=O)(=O)Cl)C(C)C)C(C)C.C[Se]C=1C(NC(N([C@H]2C[C@](O)([C@@H](COC(C3=CCC(C=C3)(OC)OC)(C3=CC=CC=C3)C3=CC=CC=C3)O2)[Si](C)(C)C(C)(C)C)C1)=O)=O>>C[Se]C=1C(=NC(N([C@H]2C[C@](O)([C@@H](COC(C3=CCC(C=C3)(OC)OC)(C3=CC=CC=C3)C3=CC=CC=C3)O2)[Si](C)(C)C(C)(C)C)C1)=O)N | 5 |
Cl[C:2]1[C:3]2[C:4](=[CH:18][N:19](CC3C=CC(OC)=CC=3)[N:20]=2)[N:5]=[C:6]([C:8]2[CH:9]=[C:10]([CH:15]=[CH:16][CH:17]=2)[C:11]([O:13][CH3:14])=[O:12])[N:7]=1.[NH:30]1[C:38]2[C:33](=[CH:34][CH:35]=[C:36]([NH2:39])[CH:37]=2)[CH:32]=[N:31]1.Cl>CO.O1CCOCC1>[NH:30]1[C:38]2[C:33](=[CH:34][CH:35]=[C:36]([NH:39][C:2]3[C:3]4[NH:20][N:19]=[CH:18][C:4]=4[N:5]=[C:6]([C:8]4[CH:9]=[C:10]([CH:15]=[CH:16][CH:17]=4)[C:11]([O:13][CH3:14])=[O:12])[N:7]=3)[CH:37]=2)[CH:32]=[N:31]1 | 2 |
[O:1]=[S:2]1(=[O:28])[C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=2[NH:5][C:4]([C:12]2[C:17](=[O:18])[N:16]([N:19]=[CH:20][CH:21]([CH3:23])[CH3:22])[C:15]3[CH:24]=[CH:25][S:26][C:14]=3[C:13]=2[OH:27])=[N:3]1.CO.[BH4-].[Li+].Cl>O1CCCC1.O>[CH:21]1([CH2:20][NH:19][N:16]2[C:17](=[O:18])[C:12]([C:4]3[NH:5][C:6]4[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=4[S:2](=[O:1])(=[O:28])[N:3]=3)=[C:13]([OH:27])[C:14]3[S:26][CH:25]=[CH:24][C:15]2=3)[CH2:22][CH2:23]1 | 1 |
BrC=1C=C(C=CC1)C(CNC(OC)=O)CC>O.FC(S(=O)(=O)O)(F)F>BrC=1C=C2C(CNC(C2=CC1)=O)CC | 3 |
C1(=CC=CC=C1)C1=CC(=NC=C1)N.CSC(=CC(=O)C1=NC=CC=C1)SC>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>CS/C(=C/C(=O)C1=NC=CC=C1)/NC1=NC=CC(=C1)C1=CC=CC=C1 | 3 |
C(C)(C)(C)OC(=O)N1CC2(C1)CN(C[C@H]2C(=O)O)C(=O)C2=CN=CS2>ClCCl.Cl>S1C=NC=C1C(=O)N1CC2(CNC2)[C@@H](C1)C(=O)O | 3 |
COC1=C(C=C(N=N1)C1=CC(=C(C(=C1)C)O)C)C=1NC2=CC(=CC=C2C1C1=CC=CC=C1)CN1CCN(CC1)C>CC#N.[I-].[K+]>OC1=C(C=C(C=C1C)C=1C=C(C(NN1)=O)C=1NC2=CC(=CC=C2C1C1=CC=CC=C1)CN1CCN(CC1)C)C | 3 |
C(C)(=O)OCC=1C(=NC=CC1C1=NN(C(C(=C1)NC1=NC=C(C=C1)C(=O)N1CCOCC1)=O)C)N1C(C2=C(C=C(C=C2C=N1)C(C)(C)C)F)=O>>C(C)(C)(C)C=1C=C2C=NN(C(C2=C(C1)F)=O)C1=NC=CC(=C1CO)C1=NN(C(C(=C1)NC1=NC=C(C=C1)C(=O)N1CCOCC1)=O)C | 5 |
NC1=NC=2C=CC=C(C2C(N1)=O)C(=O)OC>>NC1=NC2=CC=CC(=C2C(=N1)O)CO | 5 |
CN.CO.N1=CC(=CC=C1)S(=O)(=O)N1C=C(C=C1C1=C(C=CC=C1)C(F)(F)F)C=O>>Cl.Cl.CNCC1=CN(C(=C1)C1=C(C=CC=C1)C(F)(F)F)S(=O)(=O)C=1C=NC=CC1 | 5 |
BrC=1C=NC(=C(C(=O)N(C)OC)C1)N1CCCC1>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>BrC=1C=NC(=C(C=O)C1)N1CCCC1 | 3 |
C1(=CC=CC=C1)C(C1=CC=CC=C1)=NC1=CC=C2CC(COC2=C1)NC(OC(C)(C)C)=O>CO[H].Cl.NO.C(C)(=O)[O-].[Na+]>NC1=CC=C2CC(COC2=C1)NC(OC(C)(C)C)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.CC1=C2C=C(NC2=CC=C1)C(=O)OC>>C(C)(C)(C)OC(=O)N1C(=CC2=C(C=CC=C12)C)C(=O)OC | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:13]3[C:14]([O:18][C@H:19]([CH3:31])[CH2:20][CH2:21][CH2:22][CH2:23][C:24]([O:26]C(C)(C)C)=[O:25])=[CH:15][CH:16]=[CH:17][C:12]=3[O:11][C:10]=2[C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)=[CH:5][CH:4]=1.O.FC(F)(F)C(O)=O>ClCCl>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([C:9]2[C:13]3[C:14]([O:18][C@H:19]([CH3:31])[CH2:20][CH2:21][CH2:22][CH2:23][C:24]([OH:26])=[O:25])=[CH:15][CH:16]=[CH:17][C:12]=3[O:11][C:10]=2[C:32]2[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=2)=[CH:7][CH:8]=1 | 2 |
[S-]C#N.[Na+].FC1=CC=C(C(CBr)=O)C=C1.COC(CN)=O>CCO[H]>COC(CNC=1SC=C(N1)C1=CC=C(C=C1)F)=O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:10]=[N:11][C:12]([N+:15]([O-])=O)=[CH:13][CH:14]=2)[CH:5]=[CH:4][N:3]=1>CO.[Ni]>[Cl:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:14]=[CH:13][C:12]([NH2:15])=[N:11][CH:10]=2)[CH:5]=[CH:4][N:3]=1 | 1 |
Cl.C(C1=CC=NC=C1)(=O)Cl.C(CC(C)C)NCCC(C)C>ClCCl.CCN(CC)CC>C(CC(C)C)N(C(C1=CC=NC=C1)=O)CCC(C)C | 3 |
[OH-].[Na+].C[O:4][C:5]([C:7]1([NH:13][C:14]([C:16]2[CH:20]=[CH:19][O:18][CH:17]=2)=[O:15])[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]1)=[O:6].CCOCC>O1CCCC1>[O:18]1[CH:19]=[CH:20][C:16]([C:14]([NH:13][C:7]2([C:5]([OH:6])=[O:4])[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]2)=[O:15])=[CH:17]1 | 1 |
C(C)(=O)OCC=1C(=NC=CC1Cl)N1C(C=2C=C3CCCCN3C2CC1)=O>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C(C)(=O)OCC=1C(=NC=CC1B(O)O)N1C(C=2C=C3CCCCN3C2CC1)=O | 3 |
C(N(CC)CC)C.[Br:8][C:9]1[CH:10]=[C:11]([CH:15]=[CH:16][C:17]=1[F:18])[C:12](O)=[O:13].COC(Cl)=O>O1CCCC1>[Br:8][C:9]1[CH:10]=[C:11]([CH:15]=[CH:16][C:17]=1[F:18])[CH2:12][OH:13] | 1 |
COCCC(=O)O.ClC1=CC2=C(N3C(=NN=C3CNC2)C2CCN(CC2)C2=NC=CC=C2)C=C1>ClCCl.CCN(CC)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>N.ClC1=CC2=C(N3C(=NN=C3CN(C2)C(CCOC)=O)C2CCN(CC2)C2=NC=CC=C2)C=C1 | 3 |
ClCC=O.NC1=C(C(=O)OC)C=C(C=N1)Br>>BrC=1C=C(C=2N(C1)C=CN2)C(=O)OC | 5 |
BrC=1C=C2C=C(N=CC2=CC1Cl)N(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C.CC1(COCC1)N1CCNCC1>C1CCCO1.Cl.C(C)(=O)OCC.CC(C)(C)[O-].[Na+].CS(O[Pd-2]1([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C5=C6C(C=CC=C6)=CC=C5P(C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9C=C4)C%10=C(C%11=C([NH2+]1)C=CC=C%11)C=CC=C%10)(=O)=O>ClC1=C(C=C2C=C(N=CC2=C1)NC(OC(C)(C)C)=O)N1CCN(CC1)C1(COCC1)C | 3 |
ClC=1N=C(C2=C(N1)CN(C2)C(=O)N2CCOCC2)Cl.CN1CCN(CC1)CC1=C(C=CC=C1)C1=CC=C(S1)C(C)N>C(C)(C)N(C(C)C)CC.CC(C)(C)O>ClC=1N=C(C2=C(N1)CN(C2)C(=O)N2CCOCC2)NC(C)C=2SC(=CC2)C2=C(C=CC=C2)CN2CCN(CC2)C | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC(=CC=C1)C(=O)O.C1(=C(C=CC=C1)C1NCCCC1)C>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC(=CC=C1)C(=O)N1C(CCCC1)C1=C(C=CC=C1)C | 5 |
[N+:1]([C:4]1[CH:5]=[N:6][N:7]([CH:9]2[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11][CH2:10]2)[CH:8]=1)([O-])=O>CO.[Pd]>[NH2:1][C:4]1[CH:5]=[N:6][N:7]([CH:9]2[CH2:10][CH2:11][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:13][CH2:14]2)[CH:8]=1 | 2 |
CN1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.IC=1C=C2C(=NC1)N(C=N2)CC2=CC1=C(OC(CO1)C1=CC=C(C=C1)OC)C=C2>O.COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>COC1=CC=C(C=C1)C1COC2=C(O1)C=CC(=C2)CN2C=NC=1C2=NC=C(C1)C=1C=NN(C1)C | 3 |
[CH3:1][C:2]1[C:11]([F:12])=[C:10]([Br:13])[CH:9]=[C:8]([Br:14])[C:3]=1[C:4]([O:6]C)=[O:5].C(O)C.[OH-].[Na+]>O>[CH3:1][C:2]1[C:11]([F:12])=[C:10]([Br:13])[CH:9]=[C:8]([Br:14])[C:3]=1[C:4]([OH:6])=[O:5] | 1 |
[Si](C)(C)(C(C)(C)C)OCCCN(C(=O)/C/1=C/C2=C(\N=C(/C1)\NC)C=C(C=C2)C2=CC=C(C=C2)C(=O)N2CCCC2)CCC>>OCCCN(C(=O)/C/1=C/C2=C(\N=C(/C1)\NC)C=C(C=C2)C2=CC=C(C=C2)C(=O)N2CCCC2)CCC | 5 |
C(CCC#C)O.BrC1=CC(=CC(=C1)Br)Br>[Cu]I.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].CCN(CC)CC>OCCCC#CC1=CC(=CC(=C1)C#CCCCO)C#CCCCO | 3 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[OH:11][CH2:12][C:13]1[CH:14]=[C:15]([C:21]2[CH:26]=[CH:25][C:24]([CH2:27][OH:28])=[C:23]([CH2:29][OH:30])[CH:22]=2)[CH:16]=[CH:17][C:18]=1[CH2:19][OH:20].C(N(CC)CC)C>ClCCl.ClCCl.CS(C)=O>[C:21]1([C:15]2[CH:16]=[CH:17][C:18]([CH:19]=[O:20])=[C:13]([CH:12]=[O:11])[CH:14]=2)[CH:26]=[CH:25][C:24]([CH:27]=[O:28])=[C:23]([CH:29]=[O:30])[CH:22]=1 | 1 |
CO[Si](C)(C)C.C(C)(C)(C)C1=C(\C=C\2/N=C(OC2=O)C2=CC=CC=C2)C=C(C=C1)O[Si](C)(C)C(C)(C)C>>C(C)(C)(C)C1=C(\C=C\2/N=C(OC2=O)C2=CC=CC=C2)C=C(C=C1)O | 3 |
CC1=CC=C2C=CNC2=C1.COC(C(=COCC)[N+](=O)[O-])=O>>COC(C(=CC1=CNC2=CC(=CC=C12)C)[N+](=O)[O-])=O | 3 |
C(C1=CC=CC=C1)O.ClCCCOC1=CC=C(C=C1)C=1SC2=C(N1)C(CCC2)C(=O)O>C1(=CC=CC=C1)C.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>ClCCCOC1=CC=C(C=C1)C=1SC2=C(N1)C(CCC2)NC(OCC2=CC=CC=C2)=O | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]([C:16]2[C:17]3[C:25]([CH3:26])=[N:24][N:23]([CH:27]4[CH2:32][CH2:31][CH2:30][CH2:29][O:28]4)[C:18]=3[N:19]=[C:20](Cl)[CH:21]=2)=[O:15])[C:10]([CH3:39])([C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[O:40]1[CH2:45][CH2:44][CH2:43][CH2:42][CH:41]1[O:46][C:47]1[CH:52]=[CH:51][C:50](B(O)O)=[CH:49][CH:48]=1.[F-].[Cs+]>CN(C=O)C.C1(C)C=CC=CC=1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]([C:16]2[C:17]3[C:25]([CH3:26])=[N:24][N:23]([CH:27]4[CH2:32][CH2:31][CH2:30][CH2:29][O:28]4)[C:18]=3[N:19]=[C:20]([C:50]3[CH:51]=[CH:52][C:47]([O:46][CH:41]4[CH2:42][CH2:43][CH2:44][CH2:45][O:40]4)=[CH:48][CH:49]=3)[CH:21]=2)=[O:15])[C:10]([CH3:39])([C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.ClC1=C(C(=C(N)C(=C1)F)[N+](=O)[O-])OC>C1(=CC=CC=C1)C.CCN(CC)CC>ClC1=C(C(=C(C(=C1)F)N=C=O)[N+](=O)[O-])OC | 3 |
Br[C@@H](C(=O)O)CC(C)C.OC1=NC=CC(=C1)C(F)(F)F>CC(C)(C)[O-].[K+].C1CCCO1.CC(C)([O-])C.[Mg+2].CC(C)([O-])C>CC(C[C@@H](C(=O)O)N1C(C=C(C=C1)C(F)(F)F)=O)C | 3 |
[OH-].[Na+].[F:3][C:4]([F:21])([C:9]([F:20])([F:19])[C:10]([F:18])([F:17])[O:11][C:12]([F:16])=[C:13]([F:15])[F:14])[C:5]([O:7]C)=[O:6].[Na].S(=O)(=O)(O)O>O>[F:3][C:4]([F:21])([C:9]([F:19])([F:20])[C:10]([F:18])([F:17])[O:11][C:12]([F:16])=[C:13]([F:14])[F:15])[C:5]([OH:7])=[O:6] | 1 |
CO/C=C/[C@@H]1N(CCC1)C(=O)OCC1=CC=CC=C1>C1CCCO1.Cl>O=CC[C@@H]1N(CCC1)C(=O)OCC1=CC=CC=C1 | 3 |
S1N=NC(=C1)C1=CC=C(C=C1)C(C)O>>S1N=NC(=C1)C1=CC=C(C=C1)C(C)=O | 5 |
[NH2:1][C:2]1[C:11]([F:12])=[C:10](F)[C:9]([O:14][CH:15]([CH3:17])[CH3:16])=[C:8]2[C:3]=1[C:4](=[O:24])[C:5]([C:21]([OH:23])=[O:22])=[CH:6][N:7]2[CH:18]1[CH2:20][CH2:19]1.[N:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[NH:31][CH2:32][CH2:33][NH2:34].C(N(CC)CC)C.[NH4+].[Cl-]>CS(C)=O>[NH2:1][C:2]1[C:11]([F:12])=[C:10]([NH:34][CH2:33][CH2:32][NH:31][C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][N:25]=2)[C:9]([O:14][CH:15]([CH3:16])[CH3:17])=[C:8]2[C:3]=1[C:4](=[O:24])[C:5]([C:21]([OH:23])=[O:22])=[CH:6][N:7]2[CH:18]1[CH2:19][CH2:20]1 | 1 |
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:11]2[CH2:16][CH2:15][CH2:14][CH2:13][O:12]2)=[C:4](Cl)[N:3]=1.CC[N:20]([CH:24]([CH3:26])C)[CH:21]([CH3:23])C.[C:27]([N:30]1[CH2:36][CH2:35][CH2:34][NH:33][CH2:32][CH2:31]1)(=[O:29])[CH3:28].[CH3:37]CCCO>>[C:27]([N:30]1[CH2:36][CH2:35][CH2:34][N:33]([C:21]2[N:20]=[CH:24][C:26]([C:4]3[N:3]=[C:2]([Cl:1])[N:10]=[C:9]4[C:5]=3[N:6]=[CH:7][N:8]4[CH:11]3[CH2:16][CH2:15][CH2:14][CH2:13][O:12]3)=[CH:37][CH:23]=2)[CH2:32][CH2:31]1)(=[O:29])[CH3:28] | 2 |
BrC1=C(C=NN1C1CCC1)C(=O)OCC>C1CCCO1.CC(C)C[AlH]CC(C)C.[OH-].[Na+]>BrC1=C(C=NN1C1CCC1)CO | 3 |
C(C)(C)(C)OC(NCCCCOC[C@H](C)OC1OCCCC1)=O>CO[H].O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C)(C)(C)OC(NCCCCOC[C@H](C)O)=O | 3 |
Br[C:2]1[C:6](C)=[CH:5][S:4][CH:3]=1.[Li][CH2:9]CCC.C(O[B:17]1[O:21][C:20]([CH3:23])([CH3:22])[C:19]([CH3:25])([CH3:24])[O:18]1)(C)C>>[CH3:24][C:19]1([CH3:25])[C:20]([CH3:23])([CH3:22])[O:21][B:17]([C:6]2[CH:2]=[CH:3][S:4][C:5]=2[CH3:9])[O:18]1 | 1 |
FC(C(=O)C1=CN(C2=CC(=CC=C12)C(F)(F)F)C(C)C)(F)F>>C(C)(C)N1C=C(C2=CC=C(C=C12)C(F)(F)F)C(=O)O | 5 |
ClC(=O)OC.C(C)OC(C1=C(C=C(C=C1)C(N)=N)C)=O>O.[OH-].[Na+].O1CCOCC1.C(O)([O-])=O.[Na+]>C(C)OC(C1=C(C=C(C=C1)C(NC(=O)OC)=N)C)=O | 3 |
ClS(=O)(=O)C1CN(C1)C(=O)OC(C)(C)C.NCCCCCCCCNC1=C2C(N(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O)=O>CO[H].ClCCl.CCN(CC)CC>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1=O)NCCCCCCCCNS(=O)(=O)C1CN(C1)C(=O)OC(C)(C)C)=O)=O | 3 |
C[C@@H](C(=O)O)NC(=O)OC(C)(C)C.NC1=C(C(=O)NC2=CC=CC=C2)C(=CC=C1)F>ClCCl.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>FC=1C(=C(C=CC1)NC([C@H](C)NC(OC(C)(C)C)=O)=O)C(NC1=CC=CC=C1)=O | 3 |
C(C)C1=CC=C(C=C1)B(O)O.C(C1=CC=CC=C1)O[C@H]1[C@]2(O[C@@H]([C@@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)OCC1=CC(=C(C=C12)CCl)F>>C(C1=CC=CC=C1)O[C@H]1[C@]2(O[C@@H]([C@@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)OCC1=CC(=C(C=C12)CC1=CC=C(C=C1)CC)F | 5 |
ClC(=O)OCCl.C1(CC1)NC(CCCC=1N=C(N(C1)C1=CC=CC=C1)NC(C1=CC(=CC=C1)C=1C=NNC1)=O)=O>>C(OCN1N=CC(=C1)C1=CC(=CC=C1)C(NC=1N(C=C(N1)CCCC(=O)NC1CC1)C1=CC=CC=C1)=O)(OC)=O | 5 |
F[C:2]1[N:18]=[CH:17][CH:16]=[CH:15][C:3]=1[C:4]([N:6]([C:8]1[CH:13]=[CH:12][C:11]([F:14])=[CH:10][CH:9]=1)[CH3:7])=[O:5].[ClH:19].[NH:20]1[C:24]2=[N:25][CH:26]=[CH:27][C:28]([O:29][C:30]3[CH:35]=[CH:34][C:33]([NH:36]C4C(C(NC5C=CC(F)=CC=5F)=O)=CN=CC=4)=[CH:32][C:31]=3[F:54])=[C:23]2[CH:22]=[CH:21]1.C1(N)C(F)=C(F)C(F)=C(N)C=1F.Cl.Cl>CC(N(C)C)=O>[ClH:19].[ClH:19].[NH:20]1[C:24]2=[N:25][CH:26]=[CH:27][C:28]([O:29][C:30]3[CH:35]=[CH:34][C:33]([NH:36][C:2]4[N:18]=[CH:17][CH:16]=[CH:15][C:3]=4[C:4]([N:6]([C:8]4[CH:13]=[CH:12][C:11]([F:14])=[CH:10][CH:9]=4)[CH3:7])=[O:5])=[CH:32][C:31]=3[F:54])=[C:23]2[CH:22]=[CH:21]1 | 1 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)=N.[Si](C)(C)(C(C)(C)C)OC1(CC1)C=1C=CC(=NC1)Cl>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].CC(C)(C)[O-].[Na+].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>[Si](C)(C)(C(C)(C)C)OC1(CC1)C=1C=CC(=NC1)N | 3 |
C1(=CC=CC2=CC=CC=C12)B(O)O.NC=1C(=NC(=CN1)Br)C(=O)OC>N(C)(C)C=O.ClCCl.CCN(CC)CC>NC=1C(=NC(=CN1)C1=CC=CC2=CC=CC=C12)C(=O)OC | 3 |
COC(C[C@H]1COCCN1CCC(=O)OC)=O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>O=C1C[C@H]2COCCN2CC1C(=O)OC | 3 |
Cl.FC1=C(OC2CCNCC2)C=CC(=C1)F.OC(=O)C(F)(F)F.C(C1=CC=CC=C1)N1CC2=NC(=C(N=C2CC1)NCC(F)F)Cl>C1(=CC=CC=C1)C.C(=O)(C(F)(F)F)O.[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.CC(C)(C)[O-].[Na+].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(C1=CC=CC=C1)N1CC2=NC(=C(N=C2CC1)NCC(F)F)N1CCC(CC1)OC1=C(C=C(C=C1)F)F | 3 |
I.NC=1C(=NC(=C(N1)N)Cl)C(=O)NC(SC)=N.Cl.Cl.N1C(=NC=C1)NC(CCCCCCCCCCCN)=O>>N1C(=NC=C1)NC(CCCCCCCCCCCNC(=NC(=O)C1=NC(=C(N=C1N)N)Cl)N)=O | 5 |
CS(=O)(=O)NCCNC(OC(C)(C)C)=O.COC(=O)C1=NC=C2C=CC(N(C2=C1O)CC1=CC=CC=C1)=O>ClCCl.C(=O)(C(F)(F)F)O>CS(=O)(=O)NCCNC(=O)C1=NC=C2C=CC(N(C2=C1O)CC1=CC=CC=C1)=O | 3 |
S1C2=C(C=C1)C(CC2)=O.C(C)OC(C1=CC(=CC(=C1)Cl)Cl)=O>C1CCCO1.[H-].[Na+]>ClC=1C=C(C(=O)C2C(C3=C(SC=C3)C2)=O)C=C(C1)Cl | 3 |
[F-].C(CCC)[NH3+].[Si](C)(C)(C(C)(C)C)OCC12CN(C(C2C1)=O)CC1=C(C=C(C=C1)OC)OC>C1CCCO1>COC1=C(CN2C(C3CC3(C2)CO)=O)C=CC(=C1)OC | 3 |
NC1=C(C=CC=C1)NC(C1=CC=C(C=C1)C#N)=O>S(O)(O)(=O)=O.CO[H].[HH].[Pd]>NCC1=CC=C(C(=O)NC2=C(C=CC=C2)N)C=C1 | 3 |
CC=1NC=2CCCCC2C(C1)=O>N(C)(C)C=O.II.[I-].[K+].C(CCC)N.[O-]S(=O)(=S)[O-].[Na+].[Na+]>IC1=C(NC=2CCCCC2C1=O)C | 3 |
FC=1C=NC(=NC1)C(C)N.ClC1=NC=C(C(=N1)NC1=NNC(=C1)OC(C)C)Cl>>ClC=1C(=NC(=NC1)NC(C)C1=NC=C(C=N1)F)NC1=NNC(=C1)OC(C)C | 5 |
CNCCCO.BrC=1C=CC(=C(C(=O)O)C1)C>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>BrC=1C=CC(=C(C(=O)N(C)CCCO)C1)C | 3 |
S(N)(=O)(=O)Cl.NC1=C(C#N)C=C(C=C1)F>>C(#N)C1=C(C=CC(=C1)F)NS(=O)(=O)N | 5 |
C(C)(C)(C)OC(=O)N1[C@H](C[C@H](C1)OC)C(=O)O.NC1=C(C=C(C=C1)N1C(C=CC=C1)=O)F>>C(C)(C)(C)OC(=O)N1[C@H](C[C@H](C1)OC)C(NC1=C(C=C(C=C1)N1C(C=CC=C1)=O)F)=O | 5 |
C1(CCCC1)NC1=C(NC=2N1N=CC2C#N)C2=C(C=C(C(=C2)OC)OC)OC>CS(=O)C>NC1=C(C=NN1/C(/C(=O)C1=C(C=C(C(=C1)OC)OC)OC)=N/C1CCCC1)C#N | 3 |
C(C)OC(=O)C1CC(CC1)O>O([S](C(F)(F)F)(=O)=O)[Si](C(C)C)(C(C)C)C(C)C.C1(=NC(=CC=C1)C)C.ClCCl>C(C)OC(=O)C1CC(CC1)O[Si](C(C)C)(C(C)C)C(C)C | 3 |
OC1C=C(SCCCC(O)=O)C=CC=1.[OH:15][C:16]1[CH:21]=[CH:20][C:19]([SH:22])=[CH:18][CH:17]=1.C(=O)([O-])[O-].[K+].[K+].Br[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][C:39]([O:41]CC)=[O:40].[OH-].[Na+]>O.C(O)C>[OH:15][C:16]1[CH:21]=[CH:20][C:19]([S:22][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][C:39]([OH:41])=[O:40])=[CH:18][CH:17]=1 | 2 |
FC1=C(C(=O)N)C(=CC=C1)F.BrC=1C=C(C=CC1)C1=NN2C(C=CC(=C2)C(F)(F)F)=C1C1=NC(=NC=C1F)NC1=CC(=CC=C1)F>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+]>FC1=C(C(=O)NC2=CC(=CC=C2)C2=NN3C(C=CC(=C3)C(F)(F)F)=C2C2=NC(=NC=C2F)NC2=CC(=CC=C2)F)C(=CC=C1)F | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:11]2[N:15]([C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)[C:14]([S:23][CH2:24][C:25]3[C:30]([F:31])=[CH:29][C:28]([NH:32]C(=O)OC(C)(C)C)=[CH:27][C:26]=3[F:40])=[N:13][CH:12]=2)([CH3:10])[CH3:9])=[CH:4][C:3]=1[O:41][CH3:42].C(O)(C(F)(F)F)=O>C(Cl)Cl>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]([C:11]2[N:15]([C:16]3[CH:21]=[CH:20][C:19]([F:22])=[CH:18][CH:17]=3)[C:14]([S:23][CH2:24][C:25]3[C:26]([F:40])=[CH:27][C:28]([NH2:32])=[CH:29][C:30]=3[F:31])=[N:13][CH:12]=2)([CH3:10])[CH3:9])=[CH:4][C:3]=1[O:41][CH3:42] | 1 |
Cl[C:2]([O:4][CH3:5])=[O:3].[NH2:6][CH2:7][C@H:8]1[O:12][C:11](=[O:13])[N:10]([C:14]2[CH:15]=[C:16]3[C:20](=[CH:21][CH:22]=2)[N:19]([CH2:23][CH2:24][CH3:25])[C:18](=[O:26])[CH2:17]3)[CH2:9]1.C(N(C(C)C)CC)(C)C>ClCCl>[CH3:5][O:4][C:2](=[O:3])[NH:6][CH2:7][C@@H:8]1[O:12][C:11](=[O:13])[N:10]([C:14]2[CH:15]=[C:16]3[C:20](=[CH:21][CH:22]=2)[N:19]([CH2:23][CH2:24][CH3:25])[C:18](=[O:26])[CH2:17]3)[CH2:9]1 | 2 |
C(CC(=O)OCC)(=O)OCC.C(C1=CC=CC=C1)OCCBr>>C(C1=CC=CC=C1)OCCC(C(=O)OCC)C(=O)OCC | 5 |
C[O:2][C:3]([C:5]1[N:6]=[C:7]([NH:11][C:12]2[CH:17]=[CH:16][C:15]([Cl:18])=[C:14]([O:19][CH3:20])[CH:13]=2)[S:8][C:9]=1[CH3:10])=[O:4].[OH-].[K+].[K]>C1COCC1>[Cl:18][C:15]1[CH:16]=[CH:17][C:12]([NH:11][C:7]2[S:8][C:9]([CH3:10])=[C:5]([C:3]([OH:4])=[O:2])[N:6]=2)=[CH:13][C:14]=1[O:19][CH3:20] | 1 |
C(C)(C)(C)C=1C(=C(C(=C(C1)S(=O)(=O)Cl)C)C(NC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)Cl)=O)O>ClCCl.O1CCOCC1.N>C(C)(C)(C)C=1C(=C(C(=O)NC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)Cl)C(=C(C1)S(N)(=O)=O)C)O | 3 |
[CH3:1][C:2]1[CH:11]=[C:10]([CH3:12])[CH:9]=[CH:8][C:3]=1[C:4](=[N:6][OH:7])[NH2:5].N1C=CC=CC=1.Cl[C:20](OCC)=[O:21]>C1(C)C=CC=CC=1>[CH3:1][C:2]1[CH:11]=[C:10]([CH3:12])[CH:9]=[CH:8][C:3]=1[C:4]1[NH:5][C:20](=[O:21])[O:7][N:6]=1 | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][N:3]=1.Cl.C1O[C:20]2([CH2:25][CH2:24][NH:23][CH2:22][CH2:21]2)[O:19]C1.C(N(CC)CC)C.C(=O)([O-])[O-].[Na+].[Na+]>Cl.C(O)C>[O:19]=[C:20]1[CH2:25][CH2:24][N:23]([C:2]2[C:11]3[C:6](=[CH:7][C:8]([O:14][CH3:15])=[C:9]([O:12][CH3:13])[CH:10]=3)[N:5]=[CH:4][N:3]=2)[CH2:22][CH2:21]1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]2[N:14]=[CH:15][S:16][C:10]=2[CH:9]1[C:17]1[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:18]=1[O:24][CH2:25]C=C)=[O:7])([CH3:4])([CH3:3])[CH3:2].CN1C(=O)CC(=O)N(C)C1=O.C1(O)C=CC=CC=1.C(=O)([O-])[O-].[K+].[K+].BrC[C:54]([O:56][CH2:57][CH3:58])=[O:55]>CO.CN(C=O)C.CCOC(C)=O.O.[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>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]2[N:14]=[CH:15][S:16][C:10]=2[CH:9]1[C:17]1[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:18]=1[O:24][CH2:25][C:54]([O:56][CH2:57][CH3:58])=[O:55])=[O:7])([CH3:2])([CH3:4])[CH3:3] | 1 |
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