smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=S)(Cl)Cl.C1=CC(=CC(=C1)S(=O)(=O)O)N.Cl.C(C)(C)(C)OC([C@@H](NC(=O)OC(C)(C)C)CN)=O>>N[C@H](C(=O)O)CNC(NC1=CC(=CC=C1)S(=O)(=O)O)=S | 5 |
C(C)(C)(C)OC(=O)NC1=CC(=C(C(=N1)C1=CC=C(C=C1)C#N)F)C(=O)OC>Cl.O1CCOCC1>Cl.NC1=CC(=C(C(=N1)C1=CC=C(C=C1)C#N)F)C(=O)OC | 3 |
[CH3:1][C:2]1([CH3:13])[CH2:7][CH2:6][CH2:5][C:4]([CH3:9])([CH3:8])[N:3]1[CH2:10][CH2:11]Cl.[OH:14][C:15]1[CH:20]=[CH:19][C:18]([CH2:21][C:22](=[O:24])[CH3:23])=[CH:17][CH:16]=1>>[CH3:1][C:2]1([CH3:13])[CH2:7][CH2:6][CH2:5][C:4]([CH3:9])([CH3:8])[N:3]1[CH2:10][CH2:11][O:14][C:15]1[CH:16]=[CH:17][C:18]([CH2:21][C:22](=[O:24])[CH3:23])=[CH:19][CH:20]=1 | 1 |
[NH:1]1[CH:5]=[CH:4][C:3]([C:6]2[CH:11]=[CH:10][CH:9]=[CH:8][N:7]=2)=[CH:2]1.Br[C:13]1[CH:14]=[CH:15][C:16]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=2)=[C:17]([CH:20]=1)[C:18]#[N:19].CC(C)([O-])C.[Na+].N[C@@H]1CCCC[C@H]1N>CN(C=O)C.CCOC(C)=O.CCCCCC>[N:22]1[CH:23]=[CH:24][CH:25]=[CH:26][C:21]=1[C:16]1[CH:15]=[CH:14][C:13]([N:1]2[CH:5]=[CH:4][C:3]([C:6]3[CH:11]=[CH:10][CH:9]=[CH:8][N:7]=3)=[CH:2]2)=[CH:20][C:17]=1[C:18]#[N:19] | 1 |
O.[NH2:2][NH2:3].[CH:4]([O:7][C:8]([N:10]1[CH2:15][CH2:14][CH:13]([CH2:16][CH2:17][CH2:18][O:19][C:20]2[CH:25]=[CH:24][C:23]([C:26](OC)=[O:27])=[C:22]([F:30])[CH:21]=2)[CH2:12][CH2:11]1)=[O:9])([CH3:6])[CH3:5]>CO>[CH:4]([O:7][C:8]([N:10]1[CH2:15][CH2:14][CH:13]([CH2:16][CH2:17][CH2:18][O:19][C:20]2[CH:25]=[CH:24][C:23]([C:26]([NH:2][NH2:3])=[O:27])=[C:22]([F:30])[CH:21]=2)[CH2:12][CH2:11]1)=[O:9])([CH3:6])[CH3:5] | 2 |
BrC1=C(OCCO)C=C(C=C1)Br>C1(=CC=CC=C1)C.O>BrC1=C(C=C(C=C1)Br)OCCBr | 3 |
[S:1]1[CH:5]=[CH:4][C:3]([CH2:6][C:7](=[O:12])[CH2:8][CH2:9][CH2:10][CH3:11])=[CH:2]1.N1CCCC[CH2:14]1.C=O>C(O)(=O)C>[S:1]1[CH:5]=[CH:4][C:3]([C:6]([C:7](=[O:12])[CH2:8][CH2:9][CH2:10][CH3:11])=[CH2:14])=[CH:2]1 | 2 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([Br:20])[C:9]=1[O:10][CH2:11][C:12]1[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=1)[CH:5]=[O:6].[CH:21]([Mg]Br)=[CH2:22]>C1COCC1>[Br:1][C:2]1[CH:3]=[C:4]([CH:5]([OH:6])[CH:21]=[CH2:22])[CH:7]=[C:8]([Br:20])[C:9]=1[O:10][CH2:11][C:12]1[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=1 | 1 |
ON1C(C=2C(C1=O)=CC=CC2)=O.FC(OC1=CC=C(C=C1)S(=O)(=O)N1CCC(CC1)O)(F)F>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>FC(OC1=CC=C(C=C1)S(=O)(=O)N1CCC(CC1)ON1C(C2=CC=CC=C2C1=O)=O)(F)F | 3 |
C(C)I.OC1=CC2=C(CCCC(C2)N(C[C@@H](COC2=CC=CC=C2)O[Si](CC)(CC)CC)C(=O)OC(C)(C)C)C=C1>>C(C)OC1=CC2=C(CCCC(C2)N(C[C@@H](COC2=CC=CC=C2)O[Si](CC)(CC)CC)C(=O)OC(C)(C)C)C=C1 | 5 |
ClC=1SC2=C(N1)C=CC=C2.NC=1C=C2CCN(CC2=CC1)C(=O)OC(C)(C)C>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.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(C)(C)(C)OC(=O)N1CC2=CC=C(C=C2CC1)NC=1SC2=C(N1)C=CC=C2 | 3 |
ClC1=NC=C(C(=O)OCC)C=C1.C1N(CC2C1CNC2)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1CC2C(C1)CN(C2)C2=NC=C(C=C2)C(=O)OCC | 5 |
C(C)(C)(C)[Si](C)(C)Cl.BrC=1C=C(C(=C(C1)CNS(=O)C(C)(C)C)SC1=NC=CC=C1CO)Cl>c1cnc[nH]1.ClCCl.C(O)([O-])=O.[Na+]>BrC=1C=C(C(=C(C1)CNS(=O)C(C)(C)C)SC1=NC=CC=C1CO[Si](C)(C)C(C)(C)C)Cl | 3 |
C(C(C)(C)C)(=O)Cl.C12(CC3CC(CC(C1)C3)C2)COC2=CC(=C(C(=O)O)C=C2C2CC2)F>ClCCl.CCN(CC)CC>C(C(C)(C)C)(=O)OC(C1=C(C=C(C(=C1)C1CC1)OCC12CC3CC(CC(C1)C3)C2)F)=O | 3 |
C(C)(C)C=1C=C(C=CC1)[C@H](C)NC(=O)C1=CC2=C(N(C=N2)CC2=CC=C(C=C2)C=2C(=NC=CC2)C(=O)OC)C=C1>O.CO[H].[OH-].[Li+]>C(C)(C)C=1C=C(C=CC1)[C@H](C)NC(=O)C1=CC2=C(N(C=N2)CC2=CC=C(C=C2)C=2C(=NC=CC2)C(=O)O)C=C1 | 3 |
[Cl:1][C:2]1[C:3]2[N:4]([C:16]([CH3:19])=[CH:17][CH:18]=2)[C:5]([C:8]([N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)=[O:9])=[CH:6][N:7]=1.[F:20][C:21]1[CH:22]=[CH:23][C:24]([O:28][CH3:29])=[C:25]([CH:27]=1)[NH2:26]>>[ClH:1].[F:20][C:21]1[CH:22]=[CH:23][C:24]([O:28][CH3:29])=[C:25]([NH:26][C:2]2[C:3]3[N:4]([C:16]([CH3:19])=[CH:17][CH:18]=3)[C:5]([C:8]([N:10]3[CH2:15][CH2:14][O:13][CH2:12][CH2:11]3)=[O:9])=[CH:6][N:7]=2)[CH:27]=1 | 2 |
NC1CCN(CC1)C(=O)OC(C)(C)C.C(C)OC(=O)C(C)(OC=1C=C(C(=O)O)C=CC1)C>CC#N.CN1CCOCC1.ClC1=NC(=NC(=N1)OC)OC>C(C)(C)(C)OC(=O)N1CCC(CC1)NC(C1=CC(=CC=C1)OC(C)(C)C(=O)OCC)=O | 3 |
C(C)OC(=O)C1(CC2=CC=C(C=C2C1)F)NC(C1=C(C(=CC=C1)C)C1=CCCC1)=O>>C1(=CCCC1)C1=C(C(=O)NC2(CC3=CC=C(C=C3C2)F)C(=O)O)C=CC=C1C | 5 |
[C:1]([C:3]1[CH:4]=[C:5]([N:9]([CH2:13][CH:14]([C:16]2[CH:21]=[CH:20][C:19]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[S:28]([NH:31][C:32]([CH3:35])([CH3:34])[CH3:33])(=[O:30])=[O:29])=[CH:18][CH:17]=2)[CH3:15])[CH2:10][CH2:11][OH:12])[CH:6]=[CH:7][CH:8]=1)#[N:2].[H-].[Na+].I[CH3:39]>C1COCC1>[C:1]([C:3]1[CH:4]=[C:5]([N:9]([CH2:13][CH:14]([C:16]2[CH:21]=[CH:20][C:19]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=3[S:28]([NH:31][C:32]([CH3:34])([CH3:33])[CH3:35])(=[O:30])=[O:29])=[CH:18][CH:17]=2)[CH3:15])[CH2:10][CH2:11][O:12][CH3:39])[CH:6]=[CH:7][CH:8]=1)#[N:2] | 1 |
ClC1=CC=C(C=C1)[C@H](C)NC(=O)C1(CCN(CC1)C=1C2=C(N=CN1)NC=C2)CNC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NCC1(CCN(CC1)C=1C2=C(N=CN1)NC=C2)C(=O)N[C@@H](C)C2=CC=C(C=C2)Cl | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5](B2OC(C)(C)C(C)(C)O2)=[C:6]2[C:10]=1[C@H:9]([O:11][C:12]1[CH:25]=[CH:24][C:15]3[C@H:16]([CH2:19][C:20]([O:22][CH3:23])=[O:21])[CH2:17][O:18][C:14]=3[CH:13]=1)[CH2:8][CH2:7]2.Br[C:36]1[C:48]([CH3:49])=[CH:47][C:39]([O:40][CH2:41][CH:42]2[CH2:46][CH2:45][O:44][CH2:43]2)=[CH:38][C:37]=1[CH3:50].[O-]P([O-])([O-])=O.[K+].[K+].[K+]>O1CCCC1>[CH3:50][C:37]1[CH:38]=[C:39]([O:40][CH2:41][CH:42]2[CH2:46][CH2:45][O:44][CH2:43]2)[CH:47]=[C:48]([CH3:49])[C:36]=1[C:5]1[CH:4]=[CH:3][C:2]([F:1])=[C:10]2[C:6]=1[CH2:7][CH2:8][C@H:9]2[O:11][C:12]1[CH:25]=[CH:24][C:15]2[C@H:16]([CH2:19][C:20]([O:22][CH3:23])=[O:21])[CH2:17][O:18][C:14]=2[CH:13]=1 | 1 |
C[C@@H](C(=O)O)NC(=O)OC(C)(C)C.OC(=O)C(F)(F)F.N[C@H](C(=O)OCC1=CC=CC=C1)CC1=NC=CC=C1>>C(C)(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C(=O)OCC1=CC=CC=C1)CC1=NC=CC=C1)C | 5 |
O1[C:5]2([CH2:10][CH2:9][N:8]([C:11]3[CH:16]=[CH:15][C:14](/[CH:17]=[CH:18]/[C:19]([OH:21])=[O:20])=[CH:13][CH:12]=3)[CH2:7][CH2:6]2)OCC1.[NH2:22][CH2:23][C@@H:24]([C:26]1[CH:27]=[CH:28][C:29]([OH:37])=[C:30]([NH:32][S:33]([CH3:36])(=[O:35])=[O:34])[CH:31]=1)[OH:25]>CO.[Pd]>[OH:25][C@H:24]([C:26]1[CH:27]=[CH:28][C:29]([OH:37])=[C:30]([NH:32][S:33]([CH3:36])(=[O:35])=[O:34])[CH:31]=1)[CH2:23][NH:22][CH:5]1[CH2:6][CH2:7][N:8]([C:11]2[CH:12]=[CH:13][C:14]([CH2:17][CH2:18][C:19]([OH:21])=[O:20])=[CH:15][CH:16]=2)[CH2:9][CH2:10]1 | 1 |
[NH:1]1[CH:5]=[CH:4][N:3]=[CH:2]1.Br[C:7]1[CH:8]=[C:9]([CH:12]=[CH:13][C:14]=1[O:15][CH3:16])[CH:10]=[O:11].O.N>[Cu].C(OCC)(=O)C>[N:1]1([C:12]2[CH:13]=[C:14]([O:15][CH3:16])[CH:7]=[CH:8][C:9]=2[CH:10]=[O:11])[CH:5]=[CH:4][N:3]=[CH:2]1 | 1 |
[CH2:1]([N:3]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][N:11]=[C:10]3[NH:14][C:15]([C:17]4[CH:22]=[CH:21][C:20]([CH2:23][N:24]5[CH2:29][CH2:28][O:27][CH2:26][CH2:25]5)=[CH:19][CH:18]=4)=[CH:16][C:9]=23)[C:5]([C:30]2[CH:35]=[CH:34][C:33]([NH2:36])=[CH:32][CH:31]=2)=[N:4]1)[CH3:2].[CH2:37]([N:39]([CH2:42][CH3:43])[CH2:40]C)[CH3:38].ClC(OC(C)=C)=[O:46].N1CCCC1>O1CCCC1>[CH2:1]([N:3]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][N:11]=[C:10]3[NH:14][C:15]([C:17]4[CH:22]=[CH:21][C:20]([CH2:23][N:24]5[CH2:29][CH2:28][O:27][CH2:26][CH2:25]5)=[CH:19][CH:18]=4)=[CH:16][C:9]=23)[C:5]([C:30]2[CH:35]=[CH:34][C:33]([NH:36][C:40]([N:39]3[CH2:42][CH2:43][CH2:38][CH2:37]3)=[O:46])=[CH:32][CH:31]=2)=[N:4]1)[CH3:2] | 1 |
BrCC1=C(N=NN1C)C1=CC=C(C(=N1)C)OC[C@H]1[C@@H](CC1)C(=O)OC>N(C)(C)C=O.O.C(C)(=O)OCC.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])CC1=C(N=NN1C)C1=CC=C(C(=N1)C)OC[C@H]1[C@@H](CC1)C(=O)OC | 3 |
ClC=1C=CC(=C(C#N)C1)F>C1CCCO1.BrBr.[Cl-].[NH4+].[Cl-].[Li+].Cl[Mg]N1C(CCCC1(C)C)(C)C>BrC=1C(=C(C#N)C=C(C1)Cl)F | 3 |
ClCCCCCC1=CNC2=CC=C(C=C12)C#N.FC=1C(N(C=C(C1)F)C1=CC=C(C=C1)N1CCNCC1)=O>>FC=1C(N(C=C(C1)F)C1=CC=C(C=C1)N1CCN(CC1)CCCCCC1=CNC2=CC=C(C=C12)C#N)=O | 5 |
NC=1C2=C(N=CN1)N(C=CC2=O)[C@H]2[C@H](O)[C@H](O)[C@H](O2)CO.Cl[Si](O[Si](C(C)C)(C(C)C)Cl)(C(C)C)C(C)C>>N1=CN=CC2=C1N=CC=C2 | 5 |
C1(CCCCC1)C1=CC=C(N)C=C1.O=C1CCC2=CC(=CC=C12)C(=O)OCCCC>CO[H].[B][B][B][B][B][B][B][B][B][B]>C1(CCCCC1)C1=CC=C(C=C1)NC1CCC2=CC(=CC=C12)C(=O)OCCCC | 3 |
[Cl:1][C:2]1[C:3](F)=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]([CH2:12][CH3:13])[CH:9]=[C:8]([C:14]([OH:16])=[O:15])[C:7]2=[O:17].[NH2:19][CH:20]1[CH:28]=[CH:27][CH:26]([CH3:29])[CH:25]2[CH:21]1[CH2:22][NH:23][CH2:24]2.N12CCN(CC1)CC2>CS(C)=O>[NH2:19][CH:20]1[CH:28]=[CH:27][CH:26]([CH3:29])[CH:25]2[CH:21]1[CH2:22][N:23]([C:3]1[C:2]([Cl:1])=[C:11]3[C:6]([C:7](=[O:17])[C:8]([C:14]([OH:16])=[O:15])=[CH:9][N:10]3[CH2:12][CH3:13])=[CH:5][CH:4]=1)[CH2:24]2 | 1 |
COC1=C(C=C(C=C1)[N+](=O)[O-])C1=CC(=NN1C)C(F)(F)F>CCO[H].O.O.[Sn](Cl)Cl>COC1=C(C=C(C=C1)N)C=1N(N=C(C1)C(F)(F)F)C | 3 |
[Cl:1][C:2]1[N:3]=[C:4]([S:11][CH3:12])[C:5]2[CH:10]=[CH:9][NH:8][C:6]=2[N:7]=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].[C:21]([O:25][C:26](=[O:28])[CH3:27])([CH3:24])([CH3:23])[CH3:22].CN[C@@H:31]1[CH2:36][CH2:35][CH2:34][CH2:33][C@H:32]1NC>CS(C)=O.[Cu]I>[Cl:1][C:2]1[N:3]=[C:4]([S:11][CH3:12])[C:5]2[CH:10]=[CH:9][N:8]([C:31]3[CH:36]=[CH:35][C:34]([CH2:27][C:26]([O:25][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:28])=[CH:33][CH:32]=3)[C:6]=2[N:7]=1 | 2 |
[CH3:1][C:2]1[C:11]2[C:6](=[C:7]([CH2:13][CH:14]=[CH2:15])[C:8]([OH:12])=[CH:9][CH:10]=2)[O:5][C:4](=[O:16])[CH:3]=1.[CH3:17]O>>[CH3:1][C:2]1[C:11]2[C:6](=[C:7]([CH2:13][CH:14]=[CH2:15])[C:8]([OH:12])=[CH:9][C:10]=2[CH3:17])[O:5][C:4](=[O:16])[CH:3]=1 | 1 |
CC(C)(C)C([NH:5][C:6]1[C:19]([C:20]([O:22][CH3:23])=[O:21])=[C:18]2[C:9]([C:10]3[CH:11]=[CH:12][N:13]=[N:14][C:15]=3[CH2:16][O:17]2)=[CH:8][CH:7]=1)=O>CO.S(=O)(=O)(O)O>[NH2:5][C:6]1[C:19]([C:20]([O:22][CH3:23])=[O:21])=[C:18]2[C:9]([C:10]3[CH:11]=[CH:12][N:13]=[N:14][C:15]=3[CH2:16][O:17]2)=[CH:8][CH:7]=1 | 1 |
N1C2C(=CC=CC=2)C=CC=1.Br[C:12]1[C:21]2[C:16](=[CH:17][CH:18]=[C:19]([CH3:22])[CH:20]=2)[N:15]=[C:14]([CH3:23])[CH:13]=1.C([O-])([O-])=O.[Na+].[Na+].[C:30]([C:32]1[CH:37]=[CH:36][C:35](OB(O)O)=[CH:34][CH:33]=1)#[N:31]>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.O.CO.C1(C)C=CC=CC=1>[C:30]([C:32]1[CH:37]=[CH:36][C:35]([C:12]2[C:21]3[C:16](=[CH:17][CH:18]=[C:19]([CH3:22])[CH:20]=3)[N:15]=[C:14]([CH3:23])[CH:13]=2)=[CH:34][CH:33]=1)#[N:31] | 1 |
[C:1]1([NH:7][C:8]([NH:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=2)=S)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.S(OC)(OC)(=O)=O.Cl.NO.C([N:30](CC)C(C)C)(C)C.C(=O)([O-])[O-].[K+].[K+].C(Cl)(Cl)=O>C(#N)C.C1(C)C=CC=CC=1.O.ClCCl>[C:1]1([NH:7][C:8]2[N:10]=[C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][N:12]3[N:30]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C(=O)(OC(C)(C)C)N[C@@H](C)C(=O)O.C(C1=CC=CC=C1)OC(=O)[C@@]1(CNC[C@@H]1CCCB1OC(C(O1)(C)C)(C)C)N=[N+]=[N-]>C1(=CC=NC=C1)N(C)C.ClCCl.C(=O)(C(F)(F)F)O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C(C1=CC=CC=C1)OC(=O)[C@@]1(CN(C[C@@H]1CCCB1OC(C(O1)(C)C)(C)C)C([C@H](C)NC(=O)OC(C)(C)C)=O)N=[N+]=[N-] | 3 |
[CH:1](=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:9][C:10]1[O:11][CH2:12][C:13]([CH3:16])([CH3:15])[N:14]=1>>[CH3:15][C:13]1([CH3:16])[CH2:12][O:11][C:10]([CH:9]=[CH:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)=[N:14]1 | 1 |
NC1=C(C(=O)O)C(=CC=C1)[N+](=O)[O-]>>[N+](=O)([O-])C1=C2C(NC(NC2=CC=C1)=O)=O | 5 |
C(C)P(CC)CC.ClC1=CC2=C(N=C(S2)NC2=CC=C(C(=O)NNC3=NC=CN=C3Cl)C=C2)C=C1>>ClC1=CC2=C(N=C(S2)NC2=CC=C(C=C2)C2=NN=C3N2C=CN=C3Cl)C=C1 | 5 |
[CH3:1][C:2]1[O:8][CH:7]=[C:6]([OH:9])[C:4](=[O:5])[CH:3]=1.C(N(CC)CC)C.[O:17]1[CH:21]=[CH:20][CH:19]=[C:18]1[C:22](Cl)=[O:23]>C1COCC1>[O:17]1[CH:21]=[CH:20][CH:19]=[C:18]1[C:22]([O:9][C:6]1[C:4](=[O:5])[CH:3]=[C:2]([CH3:1])[O:8][CH:7]=1)=[O:23] | 1 |
C(C1=CC=CC=C1)OC=1C=C2CCN(C(C2=CC1OC)CS(=O)(=O)C1=NN=NN1C1=CC=CC=C1)C(=O)OC(C)(C)C.C(=O)C=1C=CC=C2C=CN(C12)C(=O)OC(C)(C)C>>C(C1=CC=CC=C1)OC=1C=C2CCNC(C2=CC1OC)/C=C/C=1C=CC=C2C=CN(C12)C(=O)OC(C)(C)C | 5 |
CN.C(C)(=O)NC1=C2C(C(=O)N(C2=O)C2(CCCCC2)C(=O)Cl)=CC=C1>>C(C)(=O)NC1=C2C(C(=O)N(C2=O)C2(CCCCC2)C(=O)NC)=CC=C1 | 3 |
N1=C(C=CC2=CC=CC=C12)N1N=C(C(C1=O)=C(C)NNC(C1=CC=C(C=C1)C(=O)OC)=O)C>CO[H].[OH-].[Na+]>N1=C(C=CC2=CC=CC=C12)N1N=C(C(C1=O)=C(C)NNC(C1=CC=C(C=C1)C(=O)O)=O)C | 3 |
C(C)(=O)NC1=C(C=C(C(=O)O)C=C1[N+](=O)[O-])C>Cl>NC1=C(C=C(C(=O)O)C=C1[N+](=O)[O-])C | 3 |
[C:1]1([C:7]2[N:22]=[C:10]3[CH:11]=[C:12]([C:16]4[CH:21]=[CH:20][N:19]=[CH:18][CH:17]=4)[CH:13]=[C:14]([NH2:15])[N:9]3[N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[H-].[Na+].[CH2:25](OS(C1C=CC(C)=CC=1)(=O)=O)[CH3:26].C(=O)(O)[O-].[Na+]>CN(C)C=O>[CH2:25]([NH:15][C:14]1[N:9]2[N:8]=[C:7]([C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)[N:22]=[C:10]2[CH:11]=[C:12]([C:16]2[CH:21]=[CH:20][N:19]=[CH:18][CH:17]=2)[CH:13]=1)[CH3:26] | 1 |
N1(CCNCC1)C1=NC=C(C=N1)C(=O)OCC.BrCCOCCC(=O)OC(C)(C)C>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(CCOCCN1CCN(CC1)C1=NC=C(C=N1)C(=O)OCC)=O | 3 |
CC1=C(C=CC=C1)B(O)O.BrC1=C2C(=C(N(C2=CC=C1)CCCOC1=CC=CC2=CC=CC=C12)C(=O)OC)C=O>>C(=O)C1=C(N(C2=CC=CC(=C12)C1=C(C=CC=C1)C)CCCOC1=CC=CC2=CC=CC=C12)C(=O)OC | 5 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][C:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[CH2:23][CH2:22][O:21][CH2:20][CH2:19]3)=[C:9]([O:12][CH3:13])[CH:10]=2)[N:5]=[CH:4][N:3]=1.[N:24]1[CH:29]=[CH:28][C:27]([C:30]2[CH2:34][C:33](=[O:35])[NH:32][N:31]=2)=[CH:26][CH:25]=1.[H-].[Na+]>CN(C=O)C>[CH3:13][O:12][C:9]1[CH:10]=[C:11]2[C:6](=[CH:7][C:8]=1[O:14][CH2:15][CH2:16][CH2:17][N:18]1[CH2:23][CH2:22][O:21][CH2:20][CH2:19]1)[N:5]=[CH:4][N:3]=[C:2]2[O:35][C:33]1[CH:34]=[C:30]([C:27]2[CH:28]=[CH:29][N:24]=[CH:25][CH:26]=2)[NH:31][N:32]=1 | 1 |
ClC=1C(=C(C=CC1)C1=NN=C(O1)[C@H]1N(C[C@@H](C1)F)C(=O)OC(C)(C)C)F>Cl.O1CCOCC1>Cl.ClC=1C(=C(C=CC1)C=1OC(=NN1)[C@H]1NC[C@@H](C1)F)F | 3 |
ClC=1N=C2SC=CN2C1S(=O)(=O)Cl.NC=1C=C2C=3CCN(CC3NC2=CC1)C>>CN1CC=2NC3=CC=C(C=C3C2CC1)NS(=O)(=O)C1=C(N=C2SC=CN21)Cl | 5 |
NC1=C(C=CC(=C1)C(=O)OC)C1=C(N=C(N1CC(C)(C)O)CCCC)C#N>Cl.O1CCOCC1>NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC(C)(C)O)CCCC)C(=O)OC | 3 |
[CH:1]1([C:4]2[CH:5]=[N:6][C:7]([NH:14][C:15]3[CH:24]=[CH:23][C:22]4[C:17](=[CH:18][CH:19]=[CH:20][C:21]=4[C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)[CH:16]=3)=[C:8]([CH:13]=2)[C:9]([O:11]C)=[O:10])[CH2:3][CH2:2]1.[OH-].[Na+]>CO.O1CCCC1>[CH:1]1([C:4]2[CH:5]=[N:6][C:7]([NH:14][C:15]3[CH:24]=[CH:23][C:22]4[C:17](=[CH:18][CH:19]=[CH:20][C:21]=4[C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)[CH:16]=3)=[C:8]([CH:13]=2)[C:9]([OH:11])=[O:10])[CH2:2][CH2:3]1 | 2 |
[NH:1]1[CH:5]=[C:4]([C:6]([OH:8])=[O:7])[CH:3]=[N:2]1.C1(C)C=CC(S(O)(=O)=O)=CC=1.[CH2:20]1[CH2:25][O:24][CH:23]=[CH:22][CH2:21]1.C([O-])(O)=O.[Na+]>CN(C=O)C>[O:24]1[CH2:25][CH2:20][CH2:21][CH2:22][CH:23]1[N:1]1[CH:5]=[C:4]([C:6]([OH:8])=[O:7])[CH:3]=[N:2]1 | 1 |
COC1=C(C=CC(=N1)N)C=1C=NN(C1)C.ClC=1C=CC=2CN(C(C(OC2N1)C=1SC=C(N1)C)C)C>>COC1=C(C=CC(=N1)NC=1C=CC=2CN(C(C(OC2N1)C=1SC=C(N1)C)C)C)C=1C=NN(C1)C | 5 |
[N:1]1([C:7]2[CH:12]=[CH:11][C:10]([OH:13])=[CH:9][CH:8]=2)[CH2:6][CH2:5][NH:4][CH2:3][CH2:2]1.[C:14]([OH:17])(=O)[CH3:15].Cl[C:19]1[N:20]=C(NC2C=C(C=CC=2)C(O)=O)C2[S:27][CH2:26][CH2:25][C:23]=2[N:24]=1>O>[OH:13][C:10]1[CH:9]=[CH:8][C:7]([N:1]2[CH2:2][CH2:3][N:4]([C:19]3[N:20]=[C:14]([OH:17])[C:15]4[S:27][CH2:26][CH2:25][C:23]=4[N:24]=3)[CH2:5][CH2:6]2)=[CH:12][CH:11]=1 | 1 |
[O-]C1=CC=CC=C1.[Na+].[N+](=O)([O-])C1=C(C(C#N)=CC=C1)C#N>N(C)(C)C=O.O>C(#N)C1=C(C(=CC=C1)OC1=CC=CC=C1)C#N | 3 |
CC1=C(C=C(C=C1)C)C=1C(N(C2(C1O)CCN(CC2)OC)OCOC)=O>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN(CC)CC.ClC(=O)OCC>C(C)OC(OC1=C(C(N(C12CCN(CC2)OC)OCOC)=O)C2=C(C=CC(=C2)C)C)=O | 3 |
C(C)(=O)O[C@H]1[C@@H]2CCC([C@]2(CC[C@@H]1[C@@]1([C@H](C[C@H](CC1)OC(C)=O)CCC#N)C)C)=C>>O[C@H]1CC[C@]([C@@H](C1)CCC(=O)O)(C)[C@@H]1[C@H]([C@@H]2CCC([C@]2(CC1)C)=C)O | 5 |
COC1=CC2=C(C(=NO2)N(CCN2CCOCC2)C)C=C1>C([O-])([O-])=O.[Na+].[Na+].Br>N1(CCOCC1)CCN(C1=NOC2=C1C=CC(=C2)O)C | 3 |
ClS(=O)(=O)O.ClCC1CN(C=2C=CC3=C(C12)C=CC=C3)C(C(F)(F)F)=O>>ClCC1CN(C=2C=CC3=C(C12)C=CC(=C3)S(=O)(=O)Cl)C(C(F)(F)F)=O | 3 |
[CH2:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.C(OCC)C.C([Li:19])CCC>O1CCCC1>[CH:1]1([Li:19])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1 | 1 |
N#N.Cl[C:4]1[N:5]=[N+:6]([O-:19])[C:7]2[C:16]3[CH2:15][N:14]([CH3:17])[CH2:13][CH2:12][C:11]=3[CH:10]=[CH:9][C:8]=2[N:18]=1.[Sn](CC)(CC)(CC)[CH2:21][CH3:22]>COCCOC.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>[CH2:21]([C:4]1[N:5]=[N+:6]([O-:19])[C:7]2[C:16]3[CH2:15][N:14]([CH3:17])[CH2:13][CH2:12][C:11]=3[CH:10]=[CH:9][C:8]=2[N:18]=1)[CH3:22] | 1 |
NC=1N=C(C2=C(N1)N(C=C2C)[C@H]2[C@@H](O)[C@H](O)[C@H](O2)CO)Cl>[OH-].[Na+]>NC=1NC(C2=C(N1)N(C=C2C)[C@H]2[C@@H](O)[C@H](O)[C@H](O2)CO)=O | 3 |
N1[C@@H](CCCC1)C(=O)OC.ClC1CCC2=CC(=CC=C12)C#CC1=CC(=CC=C1)F>CC#N.C([O-])([O-])=O.[K+].[K+]>FC=1C=C(C=CC1)C#CC=1C=C2CCC(C2=CC1)N1[C@@H](CCCC1)C(=O)OC | 3 |
N1(CCCCC1)NC(=O)C=1N=C(N(C1C)C1=CC=C(C=C1)O)C1=C(C=C(C=C1)Cl)Cl.CC(CCS(=O)(=O)Cl)C>>CC(CCS(=O)(=O)OC1=CC=C(C=C1)N1C(=NC(=C1C)C(=O)NN1CCCCC1)C1=C(C=C(C=C1)Cl)Cl)C | 5 |
[CH3:1][O:2][C:3]1[CH:20]=[CH:19][C:6]([NH:7][C:8]2[S:9][C:10]3[N:18]=[CH:17][CH:16]=[CH:15][C:11]=3[C:12](=[O:14])[N:13]=2)=[CH:5][CH:4]=1.[H-].[Li+].[CH2:23](Br)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>>[CH2:23]([N:13]1[C:12](=[O:14])[C:11]2[CH:15]=[CH:16][CH:17]=[N:18][C:10]=2[S:9][C:8]1=[N:7][C:6]1[CH:19]=[CH:20][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
[NH2:1][O:2]S(O)(=O)=O.[F:7][C:8]1[C:13]([CH:14]2[CH2:19][CH2:18][C:17](=O)[CH2:16][CH2:15]2)=[CH:12][CH:11]=[CH:10][N:9]=1.[OH-].[Na+].C(=O)(O)[O-].[Na+]>C(O)=O.C(OCC)(=O)C>[F:7][C:8]1[C:13]([CH:14]2[CH2:19][CH2:18][C:17](=[N:1][OH:2])[CH2:16][CH2:15]2)=[CH:12][CH:11]=[CH:10][N:9]=1 | 1 |
C([O:3][C:4](=[O:32])[C:5]1[CH:10]=[C:9]([N:11]2[C:15]([CH3:16])=[CH:14][CH:13]=[C:12]2[C:17]2[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:18]=2[O:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH:8]=[N:7][CH:6]=1)C.C(O)C>C(OCC)(=O)C>[Cl:23][C:21]1[CH:20]=[CH:19][C:18]([O:24][CH2:25][C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=2)=[C:17]([C:12]2[N:11]([C:9]3[CH:8]=[N:7][CH:6]=[C:5]([CH:10]=3)[C:4]([OH:32])=[O:3])[C:15]([CH3:16])=[CH:14][CH:13]=2)[CH:22]=1 | 2 |
[N+](=O)([O-])C=1C=CC(=NC1)C(=O)OC>CC(C)C[AlH]CC(C)C.ClCCl.O.O.O.O.C(=O)([O-])C(O)C(O)C(=O)[O-].[Na+].[K+]>[N+](=O)([O-])C=1C=CC(=NC1)C=O | 3 |
[O:1]1CCO[CH:2]1[C:6]1[CH:11]=[CH:10][C:9]([C:12]([CH3:27])([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])=[CH:8][C:7]=1[F:28].NC(N)=S>CCO.O>[F:28][C:7]1[CH:8]=[C:9]([C:12]([CH3:27])([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[C:13]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:14])[CH:10]=[CH:11][C:6]=1[CH:2]=[O:1] | 1 |
CI.O[C@]1(C[C@H](N(C1)C(=O)OCC[Si](C)(C)C)C(=O)OC)C1=CC2=CC(=CC=C2C=C1)C=C>N(C)(C)C=O.[H-].[Na+]>CO[C@]1(C[C@H](N(C1)C(=O)OCC[Si](C)(C)C)C(=O)OC)C1=CC2=CC(=CC=C2C=C1)C=C | 3 |
C(C1=CC=CC=C1)OC1=CC2=C(C=C1)C1(COC1)OC2=O>CO[H].[HH].[Pd]>OC1=CC2=C(C=C1)C1(COC1)OC2=O | 3 |
BrC1=COC=C1.C(C)(C)[Si](OC1=C(C=C2CC(C2=C1)(C#N)CCC=O)OC)(C(C)C)C(C)C>C(CCC)[Li].[Cl-].[NH4+]>O1C=C(C=C1)C(CCC1(C2=CC(=C(C=C2C1)OC)O[Si](C(C)C)(C(C)C)C(C)C)C#N)O | 3 |
[NH2:1][C:2]1[O:3][C:4]([C:7]23[CH2:14][N:11]([CH2:12][CH2:13]2)[CH2:10][CH2:9][CH2:8]3)=[CH:5][N:6]=1.[C:15](OC(OC(C)(C)C)=O)(OC(C)(C)C)=O.C(Br)C1C=CC=CC=1.[H-].[Na+].[H][H].C1(C)C=CC(S(OC)(=O)=O)=CC=1.C(O)(=O)C.C1(OC)C=CC=CC=1.FC(F)(F)C(O)=O>O1CCCC1.CN(C)C=O.C(O)C.[Pd].ClCCl>[CH3:15][NH:1][C:2]1[O:3][C:4]([C:7]23[CH2:14][N:11]([CH2:12][CH2:13]2)[CH2:10][CH2:9][CH2:8]3)=[CH:5][N:6]=1 | 1 |
[CH:1]1([C@@H:4]([C:6]2[CH:11]=[CH:10][CH:9]=[C:8]([CH:12]([CH3:14])[CH3:13])[CH:7]=2)[NH2:5])[CH2:3][CH2:2]1.C([O:19][C:20]([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[C:28]1[CH:33]=[CH:32][C:31]([CH2:34][N:35]2[C:43]3[C:38](=[CH:39][C:40]([C:44](O)=[O:45])=[CH:41][CH:42]=3)[C:37]([CH3:47])=[C:36]2[CH3:48])=[CH:30][CH:29]=1)=[O:21])(C)(C)C>>[CH:1]1([C@H:4]([NH:5][C:44]([C:40]2[CH:39]=[C:38]3[C:43](=[CH:42][CH:41]=2)[N:35]([CH2:34][C:31]2[CH:30]=[CH:29][C:28]([C:23]4[C:22]([C:20]([OH:21])=[O:19])=[CH:27][CH:26]=[CH:25][CH:24]=4)=[CH:33][CH:32]=2)[C:36]([CH3:48])=[C:37]3[CH3:47])=[O:45])[C:6]2[CH:11]=[CH:10][CH:9]=[C:8]([CH:12]([CH3:14])[CH3:13])[CH:7]=2)[CH2:2][CH2:3]1 | 1 |
CI.IC=1C=C(C2=C(NC(O2)=O)C1)C>C([O-])([O-])=O.[K+].[K+].CS(=O)C>IC=1C=C(C2=C(N(C(O2)=O)C)C1)C | 3 |
C(C1=CC=CC=C1)N1C[C@H](CC[C@@H](C1)O)O>CO[H].[HH].[Pd]>N1C[C@H](CC[C@@H](C1)O)O | 3 |
C1(=CC=CC=C1)S(=O)(=O)Cl.N=1C=CN2C1C=C(C=C2)CNC(C2=CC=C(C=C2)C2CCNCC2)=O>C1CCCO1.[H-].[Na+]>N=1C=CN2C1C=C(C=C2)CNC(C2=CC=C(C=C2)C2CCN(CC2)S(=O)(=O)C2=CC=CC=C2)=O | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=O)[CH2:9][C:10]2[CH:15]=[CH:14][N:13]=[CH:12][CH:11]=2)=[CH:4][CH:3]=1.[NH2:17][C:18]1[NH:19][N:20]=[CH:21][CH:22]=1.[OH:23][C:24]1[CH:31]=[CH:30][C:27]([CH:28]=O)=[CH:26][CH:25]=1.Cl.C([O-])(O)=O.[Na+]>COCCO.C(Cl)(Cl)Cl.CO>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:17]=[C:18]3[NH:19][N:20]=[CH:21][C:22]3=[C:28]([C:27]3[CH:30]=[CH:31][C:24]([OH:23])=[CH:25][CH:26]=3)[C:9]=2[C:10]2[CH:15]=[CH:14][N:13]=[CH:12][CH:11]=2)=[CH:4][CH:3]=1 | 1 |
FC(C=1C=C(C(=O)O)C=C(C1)C(F)(F)F)(F)F.Cl.Cl.Cl.CC=1C=C(C[C@@H]2CN(CCN2)CC#CCN2C(COCC2)(C)C)C=CC1C>>Cl.Cl.FC(C=1C=C(C(=O)N2[C@@H](CN(CC2)CC#CCN2C(COCC2)(C)C)CC2=CC(=C(C=C2)C)C)C=C(C1)C(F)(F)F)(F)F | 5 |
[F:1][C:2]1[CH:7]=[C:6]([N+:8]([O-])=O)[CH:5]=[CH:4][C:3]=1[N:11]1[CH2:16][CH2:15][O:14][CH2:13][CH2:12]1>C1COCC1.[Pd]>[F:1][C:2]1[CH:7]=[C:6]([CH:5]=[CH:4][C:3]=1[N:11]1[CH2:16][CH2:15][O:14][CH2:13][CH2:12]1)[NH2:8] | 1 |
[SH:1][CH:2]1[CH2:5][N:4]([C:6]2[S:7][CH2:8][CH2:9][N:10]=2)[CH2:3]1.C1(P(O[C:26]2[C@H:27]([CH3:50])[C@@H:28]3[C@@H:45]([C@H:46]([OH:48])[CH3:47])[C:44](=[O:49])[N:29]3[C:30]=2[C:31]([O:33][CH2:34][C:35]2[CH:40]=[CH:39][C:38]([N+:41]([O-:43])=[O:42])=[CH:37][CH:36]=2)=[O:32])(C2C=CC=CC=2)=O)C=CC=CC=1.C(N(C(C)C)CC)(C)C.C(SC1CN(C2SCCN=2)C1)(=O)C>C(#N)C.C(Cl)(Cl)Cl.C(OCC)(=O)C>[S:7]1[CH2:8][CH2:9][N:10]=[C:6]1[N:4]1[CH2:5][CH:2]([S:1][C:26]2[C@H:27]([CH3:50])[C@@H:28]3[C@@H:45]([C@H:46]([OH:48])[CH3:47])[C:44](=[O:49])[N:29]3[C:30]=2[C:31]([O:33][CH2:34][C:35]2[CH:36]=[CH:37][C:38]([N+:41]([O-:43])=[O:42])=[CH:39][CH:40]=2)=[O:32])[CH2:3]1 | 1 |
COC1C=CC=CC=1C([O:7][C:8]1[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=2[S:11](=[O:19])(=[O:18])[N:10]([CH3:20])[C:9]=1[C:21]1[O:25][C:24]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[O:32][CH3:33])=[N:23][N:22]=1)=O.C[O-].[Na+]>>[OH:7][C:8]1[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=2[S:11](=[O:19])(=[O:18])[N:10]([CH3:20])[C:9]=1[C:21]1[O:25][C:24]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[O:32][CH3:33])=[N:23][N:22]=1 | 1 |
[C:1]([C:3]1[CH:4]=[C:5]([N:18]2[CH:22]=[C:21]([C:23]([O:25]CC)=[O:24])[CH:20]=[N:19]2)[CH:6]=[CH:7][C:8]=1[O:9][CH2:10][C:11]([CH3:17])(OC)[CH:12]=C=O)#[N:2].[OH-:28].[Na+].O.Cl.[CH2:32]([OH:34])C>>[C:32]([C:11]([CH3:12])([CH3:17])[CH2:10][O:9][C:8]1[CH:7]=[CH:6][C:5]([N:18]2[CH:22]=[C:21]([C:23]([OH:25])=[O:24])[CH:20]=[N:19]2)=[CH:4][C:3]=1[C:1]#[N:2])([OH:34])=[O:28] | 1 |
O=C1N(CCC(N1)=O)C1=CC=C(C=C1)N1CCN(CC1)C(CCCNC(OC(C)(C)C)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>NCCCC(=O)N1CCN(CC1)C1=CC=C(C=C1)N1C(NC(CC1)=O)=O | 3 |
CN(C1=NC(=NC=2N3CCC[C@H]3CN(C(C21)=O)C=2C=C(C=CC2)C2=NN(C(O2)=O)C)SC)C>>CN(C1=NC(=NC=2N3CCC[C@H]3CN(C(C21)=O)C=2C=C(C=CC2)C2=NN(C(O2)=O)C)NCC)C | 5 |
COC(C)(OC)OC.NC=1C(=NC=NC1NC)N1CCC(CC1)N1C(NC2=C1C=CC=C2)=O>CC#N.C12(C(=O)CC(CC1)C2(C)C)CS(=O)(=O)O>CC=1N(C2=NC=NC(=C2N1)N1CCC(CC1)N1C(NC2=C1C=CC=C2)=O)C | 3 |
BrC1=C(C=CC=C1)NC(NC1=C(C=C(C=C1)CC(=O)OC(C)(C)C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>BrC1=C(C=CC=C1)NC(NC1=C(C=C(C=C1)CC(=O)O)C)=O | 3 |
[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[S:5].Cl[CH2:12][S:13][C:14]#[N:15]>>[S:13]([CH2:12][O:6][C:4](=[S:5])[C:3]1[CH:7]=[CH:8][CH:9]=[CH:10][C:2]=1[Cl:1])[C:14]#[N:15] | 1 |
N1=CC=C(C=C1)C=O.ClC1=NC=C(C(=N1)NCC)N>CC(=O)O.CC(=O)N(C)C>ClC1=NC=C2N=C(N(C2=N1)CC)C1=CC=NC=C1 | 3 |
FC(OC1=CC=C(C=C1)C1CC(CNC1)C(=O)OC)F.N1(CCS(CC1)(=O)=O)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]>>FC(OC1=CC=C(C=C1)C1CC(CN(C1)C(=O)N1CCS(CC1)(=O)=O)C(=O)OC)F | 5 |
[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([O:13][C:14]3[C:15]([CH3:24])=[N:16][C:17]4[C:22]([CH:23]=3)=[CH:21][CH:20]=[CH:19][CH:18]=4)=[CH:8][CH:9]=[N:10]2)=[CH:5][C:4]=1[O:25][CH2:26][CH:27]1[CH2:29][O:28]1.FC(F)(F)C(O)=[O:33].[OH-].[Na+]>ClCCl>[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([O:13][C:14]3[C:15]([CH3:24])=[N:16][C:17]4[C:22]([CH:23]=3)=[CH:21][CH:20]=[CH:19][CH:18]=4)=[CH:8][CH:9]=[N:10]2)=[CH:5][C:4]=1[O:25][CH2:26][CH:27]([OH:33])[CH2:29][OH:28] | 1 |
Cl[C:2]1[C:3]([NH2:9])=[N:4][CH:5]=[N:6][C:7]=1Cl.[NH2:10][CH2:11][CH:12]1[CH2:17][CH2:16][N:15]([C:18]([O:20]C(C)(C)C)=O)[CH2:14][CH2:13]1.[O:25]([C:32]1[CH:37]=[CH:36][C:35](B(O)O)=[CH:34][CH:33]=1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1.[C:41](O)(=O)[C:42]#[C:43]C>[Pd].CC([O-])=O.CC([O-])=O.[Pb+2]>[NH2:9][C:3]1[N:4]=[CH:5][N:6]=[C:7]([NH:10][CH2:11][CH:12]2[CH2:13][CH2:14][N:15]([C:18](=[O:20])/[CH:41]=[CH:42]\[CH3:43])[CH2:16][CH2:17]2)[C:2]=1[C:29]1[CH:30]=[CH:31][C:26]([O:25][C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)=[CH:27][CH:28]=1 | 1 |
BrC1=CC=C(C=C1)C1(CCC(CC1)=O)O>>BrC1=CC=C(C=C1)C12CCC(CC1)(O2)CC(=O)OC.BrC1=CC=C(C=C1)C1(CCC(CC1)=CC(=O)OC)O | 5 |
COCC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]>CO[H].[HH].[HH].[Pd]>COCC1=C(C=C(C=C1)C(F)(F)F)N | 3 |
C(C)(=O)Cl.O(C1=CC=CC=C1)C1=CC=C(C=C1)[C@@H]1NCCN2C1=NS(CC2)(=O)=O>O.C1CCCO1.CCN(CC)CC>C(C)(=O)N1[C@H](C2=NS(CCN2CC1)(=O)=O)C1=CC=C(C=C1)OC1=CC=CC=C1 | 3 |
O[CH2:2][CH2:3][O:4][C:5]1[CH:6]=[CH:7][C:8]([C:21]2[NH:30][C:29](=[O:31])[C:28]3[C:23](=[CH:24][C:25]([O:34][CH3:35])=[CH:26][C:27]=3[O:32][CH3:33])[N:22]=2)=[N:9][C:10]=1[C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([S:17]([CH3:20])(=[O:19])=[O:18])[CH:12]=1.P(Br)(Br)[Br:37]>CN(C=O)C>[Br:37][CH2:2][CH2:3][O:4][C:5]1[CH:6]=[CH:7][C:8]([C:21]2[NH:30][C:29](=[O:31])[C:28]3[C:23](=[CH:24][C:25]([O:34][CH3:35])=[CH:26][C:27]=3[O:32][CH3:33])[N:22]=2)=[N:9][C:10]=1[C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([S:17]([CH3:20])(=[O:19])=[O:18])[CH:12]=1 | 2 |
[ClH:1].[O:2]=[C:3]([NH:44][C:45]1[CH:50]=[CH:49][C:48]([C:51]2[N:52]=[N:53][NH:54][N:55]=2)=[CH:47][CH:46]=1)[C@@H:4]([NH:26][C:27]([C@H:29]1[CH2:34][CH2:33][C@H:32]([CH2:35][NH:36]C(=O)OC(C)(C)C)[CH2:31][CH2:30]1)=[O:28])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[C:18]([N:20]2[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]2)=[O:19])=[CH:8][CH:7]=1>O1CCOCC1.O1CCCC1>[ClH:1].[NH2:36][CH2:35][C@H:32]1[CH2:33][CH2:34][C@H:29]([C:27]([NH:26][C@@H:4]([CH2:5][C:6]2[CH:7]=[CH:8][C:9]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[C:18]([N:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]3)=[O:19])=[CH:10][CH:11]=2)[C:3](=[O:2])[NH:44][C:45]2[CH:50]=[CH:49][C:48]([C:51]3[N:55]=[N:54][NH:53][N:52]=3)=[CH:47][CH:46]=2)=[O:28])[CH2:30][CH2:31]1 | 2 |
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