smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]([C:3]1[CH:4]=[CH:5][C:6]([OH:36])=[C:7]([S:9]([NH:12][CH2:13][CH2:14][C:15]2[CH:20]=[CH:19][C:18]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[S:27]([CH3:30])(=[O:29])=[O:28])=[CH:17][C:16]=2[O:31][CH2:32][C:33]([O-:35])=[O:34])(=[O:11])=[O:10])[CH:8]=1)#[N:2].[Na+].[NH2:38][OH:39].Cl>O>[OH:36][C:6]1[CH:5]=[CH:4... | 1 |
[Cr:1]([O-:5])([O-:4])(=[O:3])=[O:2].[Na+:6].[Na+].[Cr:8]([O-])([O-:11])(=[O:10])=[O:9]>O>[Cr:1]([O:5][Cr:8]([O-:11])(=[O:10])=[O:9])([O-:4])(=[O:3])=[O:2].[Na+:6].[Na+:6] | 1 |
OC1=NN(C=C1C(=O)OCC)C(=O)OC(C)(C)C.CS(=O)(=O)OCCC1C2(C13CC3)CC2>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C1CC12C1(CC1)C2CCOC2=NN(C=C2C(=O)OCC)C(=O)OC(C)(C)C | 3 |
[Br:1][C:2]1[C:3]([NH:15][CH2:16][CH:17]2[CH2:22][CH2:21][N:20](C(OCC3C=CC=CC=3)=O)[CH2:19][CH2:18]2)=[CH:4][C:5]([NH:8]C(=O)C(C)(C)C)=[N:6][CH:7]=1>Cl>[Br:1][C:2]1[C:3]([NH:15][CH2:16][CH:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]2)=[CH:4][C:5]([NH2:8])=[N:6][CH:7]=1 | 1 |
C(N)(=S)[C@@H]1CC[C@H](N(C1)C(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12)C.BrC(C(=O)OCC)=O>>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N1C[C@@H](CC[C@H]1C)C=1SC=C(N1)C(=O)OCC | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]=[C:9]=[O:10])=[CH:4][CH:3]=1.[NH2:11][C:12](=[N:15][C:16](=O)[O:17]C)[S:13][CH3:14].C[O-].[Na+].Cl>C(Cl)Cl>[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16](=[O:17])[NH:15][CH:12]([S:13][CH3:14])[NH:11][C:9]2=[O:10])=[CH:4][CH:3]=1 | 1 |
C([N-]C(C)C)(C)C.[Li+].[Cl:9][C:10]1[CH:15]=[N:14][CH:13]=[C:12]([Cl:16])[N:11]=1.[C:17](=[O:19])=[O:18]>C1COCC1>[Cl:9][C:10]1[C:15]([C:17]([OH:19])=[O:18])=[N:14][CH:13]=[C:12]([Cl:16])[N:11]=1 | 1 |
C1N2CN3CN1CN(C2)C3.ClC=1C=CC=2N(N1)C=C(N2)C>C(=O)(C(F)(F)F)O>ClC=1C=CC=2N(N1)C(=C(N2)C)C=O | 3 |
COC1=C(C(=O)NN)C=CC(=C1)C>>COC1=C(C=CC(=C1)C)C1=NN=C(O1)S | 5 |
C1(CC1)CN1C(=CC=2C1=NC=CC2)I.C(N)(O[C@H]1C(N(C[C@@H](C1)F)C(=O)C=1C=C(C2=C(SC(=C2C)B2OC(C(O2)(C)C)(C)C)C1)OC)C(C)(C)C)=O>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)(C)(C)OC(N[C@H]1CN(C[C@... | 3 |
[CH3:1][C:2]1[C:10]2[CH2:9][O:8][C:7](=[O:11])[C:6]=2[CH:5]=[CH:4][C:3]=1[C@H:12]1[CH2:14][O:13]1.[CH3:15][C:16]1[C:24]2[CH2:23][O:22][C:21](=[O:25])[C:20]=2[CH:19]=[CH:18][C:17]=1[CH:26]1[CH2:28][O:27]1.[NH:29]1[CH2:35][CH2:34][CH2:33][NH:32][CH2:31][CH2:30]1>>[N:29]1([CH2:28][CH:26]([C:17]2[CH:18]=[CH:19][C:20]3[C:21... | 1 |
C(=O)C1=C(N)C=C(C=C1)OC>NC(=O)N>OC1=NC2=CC(=CC=C2C=N1)OC | 3 |
Cl.C(C)C(CC)N1CCN(CC1)C1=CC=C(C=C1)C(=O)C1=CC=CC=C1>>Cl.C(C1=CC=CC=C1)C1=CC=C(C=C1)N1CCN(CC1)C(CC)CC | 5 |
ClC1=C(C=NC(=C1C)Cl)CN(C(=O)NC)C1=C(C(=CC(=C1F)OC)OC)F>>ClC1=C(C=2N(C(N(CC2C=N1)C1=C(C(=CC(=C1F)OC)OC)F)=O)C)C | 5 |
CC1=NC(=NO1)C=1C=C(C(=O)OC)C=CC1>C1CCCO1.[BH4-].[Li+]>CC1=NC(=NO1)C=1C=C(C=CC1)CO | 3 |
BrCCC.N1C(CCCC2=C1C=CC=C2)=O>>CC(C)C1CCC2=C(NC1=O)C=CC=C2 | 5 |
NS(N)(=O)=O.Cl[CH2:7][CH2:8][CH2:9][S:10]([N:13]1[CH2:18][CH2:17][CH:16]([C:19]2[C:27]3[C:22](=[C:23]([C:34]([NH2:36])=[O:35])[CH:24]=[C:25]([C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)[CH:26]=3)[NH:21][CH:20]=2)[CH2:15][CH2:14]1)(=[O:12])=[O:11].[NH:37]1[CH2:42][CH2:41][CH2:40][CH2:39][CH2:38]1.C([O-])([O-])=O.[K+]... | 1 |
NC1=C(C(=O)OCC)C=CC(=C1C)F>C1(=CC=CC=C1)C.C(C)(=O)OC(C)=O.N(=O)OCCC(C)C.C(C)(=O)[O-].[K+]>FC1=C2C=NNC2=C(C=C1)C(=O)OCC | 3 |
C[C:2]1[CH:7]=[CH:6][C:5]([C:8]23[CH2:14][CH2:13][CH:12]2[CH2:11][N:10]([CH3:15])[CH2:9]3)=[CH:4][CH:3]=1.C([O-])(=O)/C=C/[C:19]([O-])=[O:20]>>[CH3:19][O:20][C:3]1[CH:4]=[C:5]([C:8]23[CH2:14][CH2:13][CH:12]2[CH2:11][N:10]([CH3:15])[CH2:9]3)[CH:6]=[CH:7][CH:2]=1 | 1 |
[CH3:1][O:2][C:3]1[C:8]([C:9]([NH2:11])=[O:10])=[C:7]([CH3:12])[N:6]=[C:5]([O:13][CH3:14])[CH:4]=1.C([Li])CCC.CO[C:22]1C=[CH:28][C:25]([C:26]#N)=[CH:24][CH:23]=1.[CH2:30]1[CH2:34][O:33][CH2:32][CH2:31]1>>[CH3:14][O:13][C:5]1[CH:4]=[C:3]([O:2][CH3:1])[C:8]2[C:9](=[O:10])[NH:11][C:28]([C:25]3[CH:24]=[C:23]([CH3:22])[C:34... | 1 |
FC(COS(=O)(=O)C(F)(F)F)(F)F.CC1=C(N2C=C(C=C2C=C1C(=O)OC(C)C)C1=CC=NN1C)C(C)N1CCNCC1>C1CCCO1.CCN(CC)CC>CC1=C(N2C=C(C=C2C=C1C(=O)OC(C)C)C1=CC=NN1C)C(C)N1CCN(CC1)CC(F)(F)F | 3 |
C([O:8][C:9]1[CH:10]=[C:11]2[C:19](=[CH:20][CH:21]=1)[NH:18][C:17]1[CH2:16][CH2:15][CH:14]([NH:22][CH2:23][CH2:24][C:25]3[CH:30]=[CH:29][C:28]([F:31])=[CH:27][CH:26]=3)[CH2:13][C:12]2=1)C1C=CC=CC=1.C([O-])=O.[NH4+]>CO.[Pd]>[OH:8][C:9]1[CH:10]=[C:11]2[C:19](=[CH:20][CH:21]=1)[NH:18][C:17]1[CH2:16][CH2:15][CH:14]([NH:22]... | 1 |
[NH2:1][OH:2].[C:3]([C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12](=[O:14])[CH3:13])=[C:7]([CH2:15][CH3:16])[CH:6]=1)#[N:4]>CCO>[NH2:4]/[C:3](=[N:1]/[OH:2])/[C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12](=[O:14])[CH3:13])=[C:7]([CH2:15][CH3:16])[CH:6]=1 | 1 |
BrC1=C2N=CC(=NC2=CC(=C1)C)COCC>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C(C)OCC1=NC2=CC(=CC(=C2N=C1)B1OC(C(O1)(C)C)(C)C)C | 3 |
C(C)(=O)C1=C(C(=C2CCCCC2=C1)CC=C)O>CCO[H].[HH].[Pd]>C(C)(=O)C1=C(C(=C2CCCCC2=C1)CCC)O | 3 |
NC1=C(C=CC=C1Br)C(C)=O>O.Cl.N(=O)[O-].[Na+].C(O)([O-])=O.[Na+]>BrC=1C=CC=C2C(=CN=NC12)O | 3 |
O.NN.[CH3:4][C:5]([C:8]1[CH:9]=[C:10]([O:14][C:15]2[CH:20]=[C:19]([CH3:21])[C:18]([N+:22]([O-])=O)=[CH:17][C:16]=2[CH3:25])[CH:11]=[CH:12][CH:13]=1)([CH3:7])[CH3:6]>C(O)CC.[Pd]>[CH3:7][C:5]([C:8]1[CH:9]=[C:10]([O:14][C:15]2[C:16]([CH3:25])=[CH:17][C:18]([NH2:22])=[C:19]([CH3:21])[CH:20]=2)[CH:11]=[CH:12][CH:13]=1)([CH3... | 1 |
[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[N:7][N:8]=[C:9]2[OH:12])=[N:4][CH:3]=1.C[CH:14](Br)[C:15]1[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>CN(C)C=O>[Br:1][C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[N:7][N:8]([CH2:14][C:15]3[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=3)[C:9]2=[O:12])=[N:4][CH:... | 1 |
BrC1=CC=C2C3=C(NC2=C1)CC1CCCN1C3>>BrC1=CC=C2C3=C(N(C2=C1)S(=O)(=O)C1=CC=C(C)C=C1)CC1CCCN1C3 | 5 |
C(C)(C)(C)OC(=O)N1C[C@H](CC1)ON>>Cl.Cl.N1C[C@H](CC1)ON | 5 |
[O:1]=[C:2]1[NH:6][C:5](=[O:7])[C:4]2([CH2:12][CH2:11][CH2:10][N:9]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:8]2)[NH:3]1.C(=O)([O-])[O-].[K+].[K+].I[CH2:27][CH3:28]>CN(C=O)C.C(OCC)(=O)C>[CH2:27]([N:6]1[C:5](=[O:7])[C:4]2([CH2:12][CH2:11][CH2:10][N:9]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=... | 2 |
C=CCCCCCC.BrCS(=O)(=O)Br>ClCCl.C([O-])([O-])=O.[K+].[K+]>BrCS(=O)(=O)C=CCCCCCC | 3 |
[NH:1]1[CH:5]=[C:4]([CH:6]2[C:14]3[C:9](=[C:10]([CH3:18])[C:11]([CH3:17])=[C:12]([O:15][CH3:16])[CH:13]=3)[CH:8]([OH:19])[CH2:7]2)[N:3]=[CH:2]1.[CH2:20](O)[CH3:21]>Cl>[CH2:20]([O:19][CH:8]1[C:9]2[C:14](=[CH:13][C:12]([O:15][CH3:16])=[C:11]([CH3:17])[C:10]=2[CH3:18])[CH:6]([C:4]2[N:3]=[CH:2][NH:1][CH:5]=2)[CH2:7]1)[CH3:... | 1 |
COC(=O)C1N(CC(C1)CCC(C)(F)F)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1C(CC(C1)CCC(C)(F)F)C(=O)O | 5 |
[NH2:1][CH2:2][C:3]1([CH2:6][O:7][C:8]2[C:13]([O:14][CH3:15])=[C:12]([O:16][CH3:17])[CH:11]=[CH:10][C:9]=2[C:18]2[CH:26]=[CH:25][CH:24]=[C:23]3[C:19]=2[CH2:20][CH2:21][C:22]3=[O:27])[CH2:5][CH2:4]1.C(N(CC)CC)C.[C:35](Cl)(=[O:39])[O:36][CH2:37][CH3:38].C(OCC)(=O)C>ClCCl>[CH2:37]([O:36][C:35](=[O:39])[NH:1][CH2:2][C:3]1(... | 1 |
[C:1]1([N:7]2[C:19](=[O:20])[C:10]3=[CH:11][NH:12][C:13]4[CH:14]=[CH:15][CH:16]=[CH:17][C:18]=4[C:9]3=[N:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.[CH3:22][O:23]C1C=CC(NN)=CC=1>>[CH3:22][O:23][C:4]1[CH:3]=[CH:2][C:1]([N:7]2[C:19](=[O:20])[C:10]3=[CH:11][NH:12][C:13]4[CH:14]=[CH:15][CH:16]=[CH:17][C:18]=4[C:9]3=[N:8]2)=... | 1 |
Cl.ClC1=C(C=2N(C=C1)C=NC2CN)F.ClC1=CC2=C(C=C(O2)CN2N=NC(=C2)C(=O)O)C=C1>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC1=C(C=2N(C=C1)C=NC2CNC(=O)C=2N=NN(C2)CC=2OC1=C(C2)C=CC(=C1)Cl)F | 3 |
C[C@@H]1CC[C@H](CC1)C(=O)Cl.C(C)(C)(C)OC(C[C@H](C)NC1=C(SC(=C1)C#CC(C)(C)C)C(=O)OC)=O>C1(=CC=NC=C1)N(C)C.ClCCl.c1ccncc1.ClCCCl>C(C)(C)(C)OC(C[C@H](C)N(C(=O)[C@@H]1CC[C@H](CC1)C)C1=C(SC(=C1)C#CC(C)(C)C)C(=O)OC)=O | 3 |
FC1(CCC(CC1)C(=O)O)F>ClCCl.C(C(=O)Cl)(=O)Cl.N>FC1(CCC(CC1)C(=O)N)F | 3 |
[CH3:1][C@@H:2]1[CH2:6][S:5](=[O:8])(=[O:7])[NH:4][CH2:3]1.Br[C:10]1[CH:15]=[CH:14][C:13]([C:16]([N:18]2[CH2:23][CH2:22][N:21]([C:24]3[C:29]([CH3:30])=[CH:28][C:27]([CH:31]4[CH2:33][CH2:32]4)=[CH:26][N:25]=3)[CH2:20][CH2:19]2)=[O:17])=[C:12]([CH3:34])[CH:11]=1>>[CH:31]1([C:27]2[CH:28]=[C:29]([CH3:30])[C:24]([N:21]3[CH2... | 1 |
CC1=NOC(=N1)C1=CC=C(N)C=C1.ClC=1C=CC=2C(N(CC(OC2N1)C1=CC=CC=C1)C)=O>>CN1CC(OC2=C(C1=O)C=CC(=N2)NC2=CC=C(C=C2)C2=NC(=NO2)C)C2=CC=CC=C2 | 5 |
C(C)(C)(C)OC(=O)N(C(=O)OC(C)(C)C)CC=1C=C(C=CC1Br)OC.C(C(=C)CC(=O)OC)(=O)OC>>C(=O)(OC)C(CC(=O)OC)=CC1=C(C=C(C=C1)OC)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C | 5 |
ClC1=CC=C(C=C1)N=O.C1(CCCCC1)B(O)O>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[K+].[K+].CC(=O)C.N12CCN(CC1)CC2>N(=O)C1=CC=C(C=C1)C1=CC=CC=C1 | 3 |
FCCN.N1=C2C(=NO1)C=C(C=C2)C(=O)NCC(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>FCCNC(=O)CNC(=O)C=1C=CC=2C(=NON2)C1 | 3 |
NC=1C=C2CCN(CC2=CC1)C(=O)OC(C)(C)C.C(C)(C)N1N(C2=NC(=NC=C2C1=O)SC)C1=CC(=NC=C1)C1(CC1)C#N>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].ClC=1C=C(C(=O)OO)C=CC1>C(#N)C1(CC1)C1=NC=CC(=C1)N1N(C(C=2C1=NC(=NC2)NC=2C=C1CCN(CC1=CC2)C(=O)OC(C)(C)C)=O)C(C)C | 3 |
[C:1]([C:3]1[CH:4]=[C:5]([C:22]([CH3:24])=[CH2:23])[C:6]2[O:10][C:9]([C:11]3[CH:20]=[CH:19][C:14]([C:15]([O:17][CH3:18])=[O:16])=[CH:13][CH:12]=3)=[N:8][C:7]=2[CH:21]=1)#[N:2].[H][H]>[Pd].O1CCCC1>[C:1]([C:3]1[CH:4]=[C:5]([CH:22]([CH3:24])[CH3:23])[C:6]2[O:10][C:9]([C:11]3[CH:20]=[CH:19][C:14]([C:15]([O:17][CH3:18])=[O:... | 1 |
NC1=CC(=NC(=C1)Cl)Cl>CO[H].[Na]>ClC1=NC(=CC(=C1)N)OC | 3 |
[CH:1]1([N:4]2[CH2:9][C:8]3([CH2:14][CH2:13][N:12]([S:15]([C:18]4[CH:23]=[CH:22][C:21](B5OC(C)(C)C(C)(C)O5)=[CH:20][CH:19]=4)(=[O:17])=[O:16])[CH2:11][CH2:10]3)[O:7][CH2:6][C:5]2=[O:33])[CH2:3][CH2:2]1.Br[C:35]1[CH:44]=[C:43]2[C:38]([CH:39]=[C:40]([N:45]3[C:53](=[O:54])[C:52]4[C:47](=[CH:48][CH:49]=[CH:50][CH:51]=4)[C:... | 2 |
[OH:1][C:2]1[CH:3]=[C:4]([C:8]([O:10][CH3:11])=[O:9])[CH:5]=[N:6][CH:7]=1.Cl[CH2:13][C:14]1[N:15]=[C:16]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[O:17][C:18]=1[CH3:19].C(=O)([O-])[O-].[K+].[K+].CN(C)C=O>O>[CH3:19][C:18]1[O:17][C:16]([C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=2)=[N:15][C:14]=1[CH2:13][O:1][C:2]... | 1 |
CN1C[C@H]2CC(=C[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC>CO[H].[HH].[HH].[Pd]>CN1C[C@H]2CC(C[C@@H](C1)N2C(=O)OC(C)(C)C)C(=O)OC | 3 |
C(#N)N=C(N)N>>CN(C)C(=N)N=C(N)N.Cl | 5 |
[CH2:1]([O:3][C:4]([C:6]1[C:7]([I:29])=[N:8][N:9]([CH2:16][CH:17]([NH:21][C:22](OC(C)(C)C)=[O:23])[CH:18]2[CH2:20][CH2:19]2)[C:10]=1C(OCC)=O)=[O:5])[CH3:2].Cl>O1CCOCC1>[CH:18]1([CH:17]2[CH2:16][N:9]3[N:8]=[C:7]([I:29])[C:6]([C:4]([O:3][CH2:1][CH3:2])=[O:5])=[C:10]3[C:22](=[O:23])[NH:21]2)[CH2:20][CH2:19]1 | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.FC(C1=NNC=C1CN)(F)F>O.CO[H].C(C)(C)N(C(C)C)CC>FC(C1=NNC=C1CNC(OC(C)(C)C)=O)(F)F | 3 |
C(=O)([O-])[O-].[K+].[K+].OC1C2C3C(=CC=CC=3)NC=2C=CC=1.BrC(C)(C)C(OCC)=O.[OH-].[Na+].[CH:32]1[C:44]2[NH:43][C:42]3[C:37](=[CH:38][CH:39]=[CH:40][CH:41]=3)[C:36]=2[C:35]([O:45][C:46]([CH3:53])([CH3:52])[C:47]([O:49]CC)=[O:48])=[CH:34][CH:33]=1.Cl>C(O)C.CN(C)C=O>[CH:32]1[C:44]2[NH:43][C:42]3[C:37](=[CH:38][CH:39]=[CH:40]... | 1 |
CN(C1CCN(CC1)C(CCC=1N(C=CN1)CCC(=O)OCC)=O)C>>Cl.CN(C1CCN(CC1)C(CCC=1N(C=CN1)CCC(=O)OCC)=O)C | 5 |
CS(=O)(=O)Cl.IC1=C(C=CC=C1)O>>CS(=O)(=O)OC1=C(C=CC=C1)I | 5 |
ClC1=CC=C(C=C1)C1=CC(C=2N(C3=C1C=CC=C3)C(=NN2)C)CC(=O)NNC(=O)C2CC2>CC#N.P(=O)(Cl)(Cl)Cl>ClC1=CC=C(C=C1)C1=CC(C=2N(C3=C1C=CC=C3)C(=NN2)C)CC=2OC(=NN2)C2CC2 | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C=1C=NC=C(C1)Br.FC1=C(C=CC(=C1)F)OB(O)O>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=C(C=CC(=C1)F)C=1C=C(C=NC1)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(C)(C)(C)C=1OC=C(N1)C(C)=O>C(C)OCC.BrBr>BrCC(=O)C=1N=C(OC1)C(C)(C)C | 3 |
FC1=CC=C(C=C1)C1N(C=CC(C1)=O)C(=O)OCC1=CC=CC=C1>[HH].[Pd].CO.C(C)(=O)O>FC1=CC=C(C=C1)[C@H]1NCC[C@H](C1)O | 3 |
C1(CC1)N.ClC(=O)OC1=CC=CC=C1.NC1=C(C=C(OC2=CC=NC3=CC(=C(C=C23)C#N)OC[C@@H](CN(CC)CC)O)C=C1)Cl>>ClC1=C(C=CC(=C1)OC1=CC=NC2=CC(=C(C=C12)C#N)OC[C@@H](CN(CC)CC)O)NC(=O)NC1CC1 | 5 |
CCCCCCCCCCCCCCCC(=O)Cl.NC1=CC=C(S1)C(=O)OCC>ClCCl.CCN(CC)CC>C(CCCCCCCCCCCCCCC)(=O)NC1=CC=C(S1)C(=O)OCC | 3 |
CC1=CC=CC(=N1)N1CCNCC1.Cl.NC(C(=O)C1=CC=C(C#N)C=C1)C(C)(C)C>CC#N.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>C(#N)C1=CC=C(C=C1)C(C(C(C)(C)C)NC(=O)N1CCN(CC1)C1=NC(=CC=C1)C)=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([Mg]Br)[CH:5]=[CH:6][C:7]=1[Cl:8].[CH3:11][O:12][C:13]1[CH:14]=[C:15]([C:25]#[C:26][CH2:27][CH2:28][CH2:29][CH:30]=[O:31])[CH:16]=[CH:17][C:18]=1[N:19]1[CH:23]=[N:22][C:21]([CH3:24])=[N:20]1.[Cl-].[NH4+]>C1COCC1>[Cl:1][C:2]1[CH:3]=[C:4]([CH:30]([OH:31])[CH2:29][CH2:28][CH2:27][C:26]#[C:25][C:15... | 1 |
[CH3:1][O:2][C:3](=[O:13])[C:4]1[CH:9]=[C:8]([Cl:10])[N:7]=[C:6](Br)[C:5]=1[NH2:12].[C:14](=O)([O-])[O-].[K+].[K+].CB1OB(C)OB(C)O1.O>O1CCOCC1>[CH3:1][O:2][C:3](=[O:13])[C:4]1[CH:9]=[C:8]([Cl:10])[N:7]=[C:6]([CH3:14])[C:5]=1[NH2:12] | 1 |
[CH3:1][C:2]1[NH:3][C:4]2[C:9]([CH:10]=1)=[CH:8][C:7]([NH2:11])=[CH:6][CH:5]=2.[N:12]1([CH2:18][CH2:19][NH:20][C:21]([C:23]2[S:31][C:30]3[C:25](=[N:26][CH:27]=[CH:28][C:29]=3Cl)[CH:24]=2)=[O:22])[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]1>>[N:12]1([CH2:18][CH2:19][NH:20][C:21]([C:23]2[S:31][C:30]3[C:25](=[N:26][CH:27]=[C... | 1 |
NC1=CC=C(CN(C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)CC2(CCCCC2)C2=NC=CC=C2)C=C1>ClCCl.CCN(CC)CC.C(C)S(=O)(=O)Cl>C(C)(C)C1=C(C(=CC=C1)C(C)C)NC(N(CC1(CCCCC1)C1=NC=CC=C1)CC1=CC=C(C=C1)NS(=O)(=O)CC)=O | 3 |
ClC=1C2=C(N=CN1)OC=C2>C1CCCO1.II.C(C)(C)[N-]C(C)C.[Li+]>ClC=1C2=C(N=CN1)OC(=C2)I | 3 |
ClC(=O)OC1=CC=CC=C1.ClC1=C(C=C(C=N1)C1=CC2=C(N=C(S2)N)C=C1)N(C)C>ClCCl.c1ccncc1>ClC1=C(C=C(C=N1)C1=CC2=C(N=C(S2)NC(OC2=CC=CC=C2)=O)C=C1)N(C)C | 3 |
[OH:1][C:2]1[C:10]([CH3:11])=[CH:9][C:5]([C:6](O)=O)=[CH:4][C:3]=1[CH3:12].C(Cl)(=O)C(Cl)=O.CN(C=O)C.[NH2:24][C:25]1[CH:33]=[CH:32][C:31]([Br:34])=[CH:30][C:26]=1[C:27]([NH2:29])=[O:28]>C(Cl)Cl>[Br:34][C:31]1[CH:30]=[C:26]2[C:25](=[CH:33][CH:32]=1)[N:24]=[C:6]([C:5]1[CH:9]=[C:10]([CH3:11])[C:2]([OH:1])=[C:3]([CH3:12])[... | 1 |
C(C)(C)(C)OC(=O)N1C(C2(C(NC(CC2C2=CC(=CC=C2)Cl)=O)C2(CC2)CC)C2=CC=C(C=C12)C1CC1)=O>Cl>C1(CC1)C1=CC=C2C(=C1)NC(C21C(NC(CC1C1=CC(=CC=C1)Cl)=O)C1(CC1)CC)=O | 3 |
[C:1]([O:5][C:6]([NH:8][C:9]1[C:10]([Cl:30])=[C:11]([N:17]2[CH2:22][CH2:21][N:20]([CH:23]3[CH2:26][O:25][CH2:24]3)[CH:19]([C:27]([O-:29])=O)[CH2:18]2)[CH:12]=[C:13]([C:15]#[N:16])[CH:14]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Li].CCN(C(C)C)C(C)C.[NH:41]1[CH2:46][CH2:45][O:44][CH2:43][CH2:42]1.C(P1(=O)OP(CCC)(=O)OP(CCC)(=O... | 1 |
NC1=C(C(=O)NC(C(=O)O)CC2=CC(=C(C=C2)[N+](=O)[O-])OCC2=CC=CC=C2)C=CC=C1>>C(C1=CC=CC=C1)OC=1C=C(CC2C(NC3=C(C(N2)=O)C=CC=C3)=O)C=CC1[N+](=O)[O-] | 5 |
I[C:2]1[N:3]=[CH:4][N:5]([CH3:7])[CH:6]=1.C([Mg]Br)C.Cl[C:13]1[C:14](=[O:32])[N:15]([CH2:28][CH:29]([CH3:31])[CH3:30])[C:16]([C:20]2[C:25]([F:26])=[CH:24][CH:23]=[CH:22][C:21]=2[F:27])=[C:17]([Cl:19])[N:18]=1>ClCCl>[Cl:19][C:17]1[N:18]=[C:13]([C:2]2[N:3]=[CH:4][N:5]([CH3:7])[CH:6]=2)[C:14](=[O:32])[N:15]([CH2:28][CH:29... | 2 |
CN.C(#N)C=1C=C(C(=O)O)C=C(C1)C=1C=NN2C1N=C(C(=C2)C=2C=NN(C2)C)N[C@@H]2COCC2>N(C)(C)C=O.O.C(C)(=O)OCC.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(#N)C=1C=C(C(=O)NC)C=C(C1)C=1C=NN2C1N=C(C(=C2)C=2C=NN(C2)C)N[C@@H]2COCC2 | 3 |
[Si](C)(C)(C(C)(C)C)OCCSC=1C=CC(=C2CCC(C12)=O)OC=1C=C(C#N)C=C(C1)F>CC#N.O.C(Cl)(Cl)(Cl)Cl.I(=O)(=O)(=O)[O-].[Na+].[Ru](Cl)(Cl)Cl>[Si](C)(C)(C(C)(C)C)OCCS(=O)(=O)C=1C=CC(=C2CCC(C12)=O)OC=1C=C(C#N)C=C(C1)F | 3 |
[C:1]([SH:20])([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)([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-].[Na+].Br[CH2:24][C:25]1[CH:32]=[CH:31][C:28]([C:29]#[N:30])=[CH:27][CH:26]=1>C1COCC1>[C:1]([S:20][CH2:24][C:25]1[CH:32]=[CH:31][C:28]([C:29]#[N:30])=[CH:27][CH:26]=1)... | 2 |
BrCCCC([C-:7]1[CH:11]=[CH:10][CH:9]=[CH:8]1)=O.[CH-:12]1[CH:16]=[CH:15][CH:14]=[CH:13]1.[Fe+2:17].[I-].[K+].C(N(CC)CC)C>C1(C)C=CC=CC=1>[CH-:7]1[CH:11]=[CH:10][CH:9]=[CH:8]1.[CH-:12]1[CH:16]=[CH:15][CH:14]=[CH:13]1.[Fe+2:17] | 1 |
[CH3:1][N:2]([CH3:13])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[CH2:9][C:10]([OH:12])=O.Cl.[F:15][C:16]1[CH:17]=[C:18]([C:22]2([C:32]3[CH:37]=[CH:36][CH:35]=[C:34]([F:38])[CH:33]=3)[CH:30]3[CH:26]([CH2:27][NH:28][CH2:29]3)[C:25](=[O:31])[CH2:24][CH2:23]2)[CH:19]=[CH:20][CH:21]=1.C(N(CC)CC)C>ClCCl>[F:38][C:34]1[CH:33]=[C:... | 1 |
Cl.[CH3:2][O:3][C:4](=[O:23])[C@H:5]([CH2:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[C:15](=[O:22])[N:16]([CH3:21])[CH:17]=[C:18]([Br:20])[CH:19]=2)=[CH:10][CH:9]=1)[NH2:6].[Br:24][C:25]1[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[CH:30][C:26]=1[C:27](O)=[O:28].CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F... | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][N:3]=1.C([Li])(CC)C.[CH3:14][O:15][C:16](=[O:25])[C:17]1[CH:22]=[CH:21][C:20]([CH:23]=[O:24])=[CH:19][CH:18]=1.C(OCC)C.C1COCC1>C(OCC)C>[CH3:14][O:15][C:16](=[O:25])[C:17]1[CH:22]=[CH:21][C:20]([CH:23]([OH:24])[C:2]2[CH:7]=[CH:6][C:5]([CH3:8])=[CH:4][N:3]=2)=[CH:19][CH:18]=1 | 2 |
ClC1=C(C=C(C=C1OC)OC)C1=CC2=C(N=C(N=C2)SC)NC1=O.CS(=O)(=O)OCCN1C[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C>>ClC1=C(C=C(C=C1OC)OC)C1=CC2=C(N=C(N=C2)SC)N(C1=O)CCN1C[C@@H]2[C@H](C1)CN(C2)C(=O)OC(C)(C)C | 5 |
C(OC([NH:8][NH:9][C:10](=[O:34])[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][NH:16][C:17]([O:19][CH2:20][CH:21]1[C:33]2[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=2[C:27]2[C:22]1=[CH:23][CH:24]=[CH:25][CH:26]=2)=[O:18])=O)(C)(C)C.[F:35][C:36]([F:41])([F:40])[C:37]([OH:39])=[O:38].O>ClCCl.C(#N)C>[F:35][C:36]([F:41])([F:40])[C:37](... | 2 |
BrC1=C(C=CC=C1)B1OCCN(CCO1)CCCC>>CC1(C2=C(B(O1)O)C=CC=C2)C | 5 |
C(C1=CC=CC=C1)N1CCN(CC1)S(N)(=O)=O.BrCC=1C=C(C=CC1CBr)Cl>>C(C1=CC=CC=C1)N1CCN(CC1)S(=O)(=O)N1C=C2C=CC(=CC2=C1)Cl | 5 |
C(C)(=O)N1CCN(CC1)C(=O)[C@@H]1CC[C@H](CC1)CN1C(N(C=2C1=NC(=CC2)Br)C)=O.COC/C=C/BC1OC(C(O1)(C)C)(C)C>>C(C)(=O)N1CCN(CC1)C(=O)[C@@H]1CC[C@H](CC1)CN1C(N(C=2C1=NC(=CC2)\C=C\COC)C)=O | 5 |
FC1=C(C(=C(C=C1OC)OC)F)N1CC2=CN=C(C=C2C2(C1=O)CC2)NC2=C(C=CC(=C2)N2CCOCC2)[N+](=O)[O-]>O.CO[H].[Fe].Cl.C([O-])([O-])=O.[Na+].[Na+]>NC1=C(C=C(C=C1)N1CCOCC1)NC=1C=C2C3(C(N(CC2=CN1)C1=C(C(=CC(=C1F)OC)OC)F)=O)CC3 | 3 |
[N:1]1(C(OCC2C=CC=CC=2)=O)[C:5](=[O:6])[CH2:4][CH2:3][C@H:2]1[C:7]([NH:9][C@H:10]([C:14]([NH:16][C@H:17]([C:22]([NH2:24])=[O:23])[C@H:18]([CH2:20][CH3:21])[CH3:19])=[O:15])[CH2:11][CH2:12][CH3:13])=[O:8]>C(O)(=O)C.[Pd]>[NH:1]1[C:5](=[O:6])[CH2:4][CH2:3][C@H:2]1[C:7]([NH:9][C@H:10]([C:14]([NH:16][C@H:17]([C:22]([NH2:24]... | 1 |
[CH3:1][C:2]1[CH2:7][CH2:6][C@@H:5]([C:8]([O:10][C@H]2C(C)(C)COC2=O)=[O:9])[CH2:4][CH:3]=1.O.[OH-].[Li+].Cl>C1COCC1.O.CO>[CH3:1][C:2]1[CH2:7][CH2:6][C@@H:5]([C:8]([OH:10])=[O:9])[CH2:4][CH:3]=1 | 1 |
CC1(CC(CC(C1)([Sn](C)(C)C)C)=O)C>ClCCl.[Ti](Cl)(Cl)(Cl)Cl>CC1(C(CC(C1)(C)C)=O)C | 3 |
FC1=C(C=C(C(=O)OCC)C=C1)[N+](=O)[O-].C(C)C(CC)C=1NC=CN1>CC#N.C(C)(C)N(C(C)C)CC>C(C)C(CC)C=1N(C=CN1)C1=C(C=C(C(=O)OCC)C=C1)[N+](=O)[O-] | 3 |
[Li+].[B-](CC)(CC)CC.ClC1=CC2=C(N(C(CO2)=O)C(=O)OC(C)(C)C)C=C1>>ClC1=CC2=C(N(C(CO2)O)C(=O)OC(C)(C)C)C=C1 | 5 |
C(C)(C)OB(OC(C)C)OC(C)C.IC1=C(C=CC(=C1)C(F)(F)F)OC>C1CCCO1.C(CCC)[Li]>COC1=C(C=C(C=C1)C(F)(F)F)B(O)O | 3 |
BrC1=CC2=CN(N=C2C=C1OCCCCCOC1=CC=CC(=N1)C(=O)OC)C1CCC(CC1)CO>O.CO[H].O[Li].O>BrC1=CC2=CN(N=C2C=C1OCCCCCOC1=CC=CC(=N1)C(=O)O)C1CCC(CC1)CO | 3 |
N1(CCCCC1)C1=CC=C(C=C1)C1(CCC1)NC1=NC=C(C=N1)C(=O)OCC>CCO[H].O.NN>N1(CCCCC1)C1=CC=C(C=C1)C1(CCC1)NC1=NC=C(C=N1)C(=O)NN | 3 |
[CH2:1]([Zn]CC)[CH3:2].FC(F)(F)C(O)=O.ICI.[F:16][C:17]([F:35])([F:34])[C:18]([N:20]1[CH2:26][C:25](=[CH2:27])[C:24]2[CH:28]=[CH:29][C:30]([O:32][CH3:33])=[CH:31][C:23]=2[CH2:22][CH2:21]1)=[O:19]>ClCCl>[F:35][C:17]([F:16])([F:34])[C:18]([N:20]1[CH2:26][CH:25]([CH:27]2[CH2:2][CH2:1]2)[C:24]2[CH:28]=[CH:29][C:30]([O:32][C... | 1 |
C1(P(C2CCCCC2)C2C=CC=CC=2C2C=CC=CC=2)CCCCC1.Cl.[NH:27]1[CH2:32][CH2:31][CH:30]([CH2:33][CH2:34][CH:35]2[CH2:40][CH2:39][N:38]([C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[CH2:37][CH2:36]2)[CH2:29][CH2:28]1.Cl[C:49]1[CH:54]=[CH:53][CH:52]=[C:51]([CH3:55])[N:50]=1.CC(C)([O-])C.[Na+].C(=O)([O-])[O-].[Na+].[Na+... | 1 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.BrC=1C(=NNC1)C(F)(F)F>ClCCl.CCN(CC)CC>BrC=1C(=NN(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(F)(F)F | 3 |
[CH3:1][N:2]1[CH2:7][CH2:6][NH:5][CH2:4][CH2:3]1.C(N(CC)CC)C.[CH:15]([C:17]1[C:22]2[NH:23][C:24]([C:26]3[CH:34]=[CH:33][C:29]([C:30](O)=[O:31])=[CH:28][CH:27]=3)=[N:25][C:21]=2[CH:20]=[CH:19][C:18]=1[OH:35])=[O:16].ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C>C(=O)(O)[O-].[Na+].O1CCCC1>[OH:35][C:18]1[CH:19]=[CH:20][C:21]2[N... | 1 |
BrC=1C=C(C(=O)N[C@H](C)C=2C=NC(=NC2)C)C=C(C1)OC1=CC(=NC=C1)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>CC1=NC=CC(=C1)OC=1C=C(C=C(C1)C(N[C@H](C)C=1C=NC(=NC1... | 3 |
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