smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[Br:1][C:2]1[CH:23]=[C:22]([F:24])[CH:21]=[CH:20][C:3]=1[O:4][CH:5]1[CH2:10][CH2:9][N:8]([C:11]2[S:15][C:14]([C:16](=[N:18][OH:19])[NH2:17])=[N:13][N:12]=2)[CH2:7][CH2:6]1.[C:25](OCC)(=O)[CH2:26][OH:27]>>[Br:1][C:2]1[CH:23]=[C:22]([F:24])[CH:21]=[CH:20][C:3]=1[O:4][CH:5]1[CH2:10][CH2:9][N:8]([C:11]2[S:15][C:14]([C:16]3... | 2 |
C1(=CC=CC=C1)[C@@H](C)N1CCC(CC1)O.FC1=C(C=CC(=C1F)F)S(=O)(=O)NC=1N=CSC1>N(C)(C)C=O.[H-].[Na+].[Cl-].[NH4+]>C(=O)O.FC1=C(C=CC(=C1F)OC1CCN(CC1)[C@H](C)C1=CC=CC=C1)S(=O)(=O)NC=1N=CSC1 | 3 |
CO[C:3]([CH:5]1[CH2:9][C:8](=O)[CH2:7][N:6]1[CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[O:4].[F:18][C:19]([F:34])([F:33])[C:20]1[CH:21]=[C:22]([CH:26]=[C:27]([C:29]([F:32])([F:31])[F:30])[CH:28]=1)[CH2:23][NH:24][CH3:25].[F:35][C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][C:37]=1[N:42]1[CH2:47][CH2:46][NH:45][CH2:... | 1 |
OC1=CC(=C(C=C1)C1=C(C(N(C(N1C)=O)COCC[Si](C)(C)C)=O)C)C.ClC1=NC=CC=C1C1CC1.C(C)(C)(C)P(C1=C(C(C(C(=C1C)C)C)(C(C)C)C)C1=C(C=C(C=C1)C(C)C)C(C)C)C(C)(C)C>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CC1)C=1C(=NC=CC1)OC1=CC(=C(C=C1)C1=C(C(N(C(N1C)=O)COCC[Si](C)(C)C)=O)C)C | 3 |
NC1=C(C=CC=C1)C(F)(F)F.C[C@@H]1CN(C[C@@H](N1C=1C2=C(N=CN1)SC=C2)C)CC(=O)O>C1(=CC=NC=C1)N(C)C.O1CCOCC1.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Br.F[P-](F)(F)(F)(F)F>C[C@@H]1CN(C[C@@H](N1C=1C2=C(N=CN1)SC=C2)C)CC(=O)NC2=C(C=CC=C2)C(F)(F)F | 3 |
C(C)(C)N1C(N(C2=C1C=CC=C2)CC2=NC1=C(N2CCC(C)C)C=CC(=C1)C#N)=O>>ONC(=N)C1=CC2=C(N(C(=N2)CN2C(N(C3=C2C=CC=C3)C(C)C)=O)CCC(C)C)C=C1 | 5 |
[C:1]([SiH2:5][O:6][C:7]([C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1)([C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)[C:8]([NH:12][C:13](=[O:30])[CH:14]([O:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][CH:27]=1)[N:24]=[CH:23][C:22]([C:28]#[CH:29])=[CH:21]2)[S:15][CH3:16])([CH3:11])[CH2:9][OH:10])([CH3:4])([CH3:3])[CH3:2]... | 1 |
NC1=CC=C(C=C1)C(F)(F)F.BrCCCCCC(=O)Cl>ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+]>BrCCCCCC(=O)NCCCC(C)C(F)(F)F | 3 |
BrC1=C2CCCC2=CC(=C1)F>N(C)(C)C=O.C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.[Cl-].[NH4+]>BrC1=C2CCCC2=CC(=C1C=O)F | 3 |
CON(C(=O)C1(CCC(CC1)=O)C(F)(F)F)C>[Na+].[BH4-].CCO[H].Cl>CON(C(=O)C1(CCC(CC1)O)C(F)(F)F)C | 3 |
C(C)OC(=O)C1(CCC1)Br>O.[OH-].[K+]>OCC1(CC1)C(=O)O | 3 |
[CH:1]1([CH2:8][OH:9])[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[O-]S([O-])(=O)=O.[Mg+2].[Cr](Cl)([O-])(=O)=O.[NH+]1C=CC=CC=1>C(Cl)Cl>[CH:1]1([CH:8]=[O:9])[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
C1(=CC=CC=C1)B(O)O.ClC1=C(C=NC=C1)N1[C@@H]2CN([C@H](C1)C2)C(=O)OC(C)(C)C>O.C([O-])([O-])=O.[K+].[K+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(=CC=CC=C1)C1=C(C=NC=C1)N1[C@@H]2CN([C@H](C1)C2)C(=O)OC(C)(C)C | 3 |
BrC=1C(=C(O[C@H](CCO[Si](C)(C)C(C)(C)C)C)C=CC1)Cl>CC#N.F>BrC=1C(=C(O[C@H](CCO)C)C=CC1)Cl | 3 |
O=C1N(CCC1)C1=CC=C(C=C1)N(C(=O)OCC(Cl)(Cl)Cl)C(=O)OCC(Cl)(Cl)Cl.FC1=C(C=CC=C1)C1=NSC(=N1)N1CCNCC1>CS(=O)C.C(C)(C)N(C(C)C)CC>FC1=C(C=CC=C1)C1=NSC(=N1)N1CCN(CC1)C(=O)NC1=CC=C(C=C1)N1C(CCC1)=O | 3 |
BrC1=CC=C2C(NNC2=C1)=O.ClC(CC=C)C1=C(C=CC=C1)OC>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>BrC1=CC=C2C(NN(C2=C1)C(CC=C)C1=C(C=CC=C1)OC)=O | 3 |
NC=1C(=NC=CC1C#N)C(=O)OCC>N>NC=1C(=NC=CC1C#N)C(=O)N | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:12]([F:17])([F:16])[C:13]([OH:15])=O)[CH:5]=[CH:6][C:7]=1[O:8][CH:9]([CH3:11])[CH3:10].P(Cl)(Cl)(Cl)=O.Cl.[NH2:24][CH2:25][C:26]1[CH:27]=[C:28]2[C:32](=[CH:33][CH:34]=1)[C:31](=[O:35])[N:30]([CH:36]1[CH2:41][CH2:40][C:39](=[O:42])[NH:38][C:37]1=[O:43])[CH2:29]2.C(=O)(O)[O-].[Na+]>N1C=CC=CC=1... | 2 |
[O:1]1[CH:5]=[CH:4][C:3]([C:6]2[N:11]3[N:12]=[C:13]([NH2:15])[N:14]=[C:10]3[CH:9]=[CH:8][CH:7]=2)=[CH:2]1.[O:16]1[C:20]([C:21](Cl)=[O:22])=[CH:19][CH:18]=[N:17]1>>[O:1]1[CH:5]=[CH:4][C:3]([C:6]2[N:11]3[N:12]=[C:13]([NH:15][C:21]([C:20]4[O:16][N:17]=[CH:18][CH:19]=4)=[O:22])[N:14]=[C:10]3[CH:9]=[CH:8][CH:7]=2)=[CH:2]1 | 1 |
[C:1]([O:5][C:6]([N:8]1[C@@H:13]([CH3:14])[CH2:12][C@H:11]([C:15]2[CH:20]=[CH:19][C:18]([F:21])=[C:17]([F:22])[CH:16]=2)[C@@H:10]([C:23](O)=O)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[Cl:59][C:60]1[C:65]([Cl:66])=[CH:64][CH:63]=[CH:62][C:61]=1[C:67... | 2 |
[F:1][C:2]1[CH:16]=[CH:15][CH:14]=[C:4]2[C:5]([N:7]([CH2:10][CH:11]([CH3:13])[CH3:12])[C:8](=[O:9])[C:3]=12)=[O:6]>CO.[BH4-].[K+]>[F:1][C:2]1[CH:16]=[CH:15][CH:14]=[C:4]2[C:3]=1[CH:8]([OH:9])[N:7]([CH2:10][CH:11]([CH3:12])[CH3:13])[C:5]2=[O:6] | 1 |
CC(C)(C)N1N=C(C=C1)C(=O)OCC>>C(C)(C)(C)N1N=CC(=C1)C(=O)O | 5 |
O=C1N(C=2N(C(=C1CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CN2)C2CCC1(OC(C(O1)(C)C)(C)C)CC2>[N+](O[H])([H])([H])[H].[Cl-].CS(=O)C.C(O)([O-])=O.[Na+]>O=C1NC(=NO1)C1=C(C=CC=C1)C1=CC=C(C=C1)CC=1C(N(C=2N(C1CCC)N=CN2)C2CCC1(OC(C(O1)(C)C)(C)C)CC2)=O | 3 |
[CH3:1][C:2]1([CH2:24][CH2:25][CH2:26][CH:27]([CH3:39])[CH2:28][CH2:29][CH2:30][CH:31]([CH3:38])[CH2:32][CH2:33][CH2:34][CH:35]([CH3:37])[CH3:36])[O:15][C:14]2[C:5](=[C:6]3[C:11](=[C:12]([CH3:17])[C:13]=2[CH3:16])[O:10]C(CCC)O[CH:7]3[CH2:21][CH2:22][CH3:23])[CH2:4][CH2:3]1>CC(O)=O.OS(O)(=O)=O.C(Cl)Cl.[Pd]>[CH2:7]([C:6]... | 1 |
[CH3:1][C:2]1[C:11]2[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[N:5]2[N:12]=[C:13]([CH:15]=[O:16])[N:14]=[C:4]2[N:3]=1.[N+:17]([C:20]1[CH:38]=[CH:37][C:23]([CH2:24][O:25][C:26]([C:28]2[N:29]3[C@H:32]([S:33][CH:34]=2)[C@@H:31]([Br:35])[C:30]3=[O:36])=[O:27])=[CH:22][CH:21]=1)([O-:19])=[O:18].[Mg+2].[Br-].[Br-].[O:42](CC)[CH2:4... | 1 |
Br[C:2]1[N:7]=[C:6]([CH:8]=[O:9])[CH:5]=[CH:4][CH:3]=1.[CH3:10][N:11]1[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]1.C(=O)([O-])[O-].[K+].[K+].Cl>O.CC#N>[CH3:10][N:11]1[CH2:16][CH2:15][N:14]([C:2]2[N:7]=[C:6]([CH:8]=[O:9])[CH:5]=[CH:4][CH:3]=2)[CH2:13][CH2:12]1 | 1 |
BrC=1C=CC2=C(N(C=N2)C2CN(CC2)C(=O)OC(C)(C)C)C1>>BrC=1C=CC2=C(N(C=N2)C2CNCC2)C1 | 5 |
C(N(CC)CC)C.[B-](F)(F)(F)F.CN(C(ON1C(=O)CCC1=O)=[N+](C)C)C.[CH3:28][O:29][C:30]1[CH:35]=[CH:34][C:33]([C:36]2[CH:41]=[CH:40][N:39]=[C:38]3[NH:42][C:43]([C:45]4[CH:53]=[CH:52][C:48]([C:49]([OH:51])=O)=[CH:47][CH:46]=4)=[N:44][C:37]=23)=[CH:32][CH:31]=1.Cl.[F:55][C:56]1([F:61])[CH2:60][CH2:59][NH:58][CH2:57]1>CN(C=O)C>[F... | 2 |
C(C)(C)(C)OC(NC(C1CCC(CC1)=O)C1=CC=C(C=C1)OC)=O>>C(C)(C)(C)OC(NC(C1=CC=C(C=C1)OC)C1CCC(CC1)O)=O | 5 |
C(C1=CC=CC=C1)OC(=O)N1[C@@H](CCC1)C1=NN=NN1>CCO[H].[HH].[Pd]>N1[C@@H](CCC1)C1=NN=NN1 | 3 |
Cl.C(C)(C)(C)OC(CCN)=O.ClC1=CC(=NC=N1)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)C>>ClC1=CC(=NC=N1)C(=O)NC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)(C)C)C | 5 |
N(=O)N(C=1C(=CC=CC1)C)C>>CN(N)C1=CC=C(C=C1)C | 5 |
[Te:1]([Cl:5])(Cl)([Cl:3])[Cl:2].[CH3:6][O:7][C:8]([CH2:10][O:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[O:9]>C(Cl)(Cl)(Cl)Cl>[CH3:6][O:7][C:8]([CH2:10][O:11][C:12]1[CH:17]=[CH:16][C:15]([Te:1]([Cl:5])([Cl:3])[Cl:2])=[CH:14][CH:13]=1)=[O:9] | 1 |
[NH2:1][C:2]1[C:3]2[C:8]([C:9]3[CH:10]=[CH:11][CH:12]=[CH:13][C:14]=3[CH:15]=1)=[CH:7][CH:6]=[CH:5][CH:4]=2.[CH:16](=O)[CH:17]=[CH2:18].[OH-].[Na+]>[Cl-].[Zn+2].[Cl-].C(O)(=O)C>[N:1]1[C:2]2[C:15](=[C:14]3[CH:13]=[CH:12][CH:11]=[CH:10][C:9]3=[C:8]3[CH:7]=[CH:6][CH:5]=[CH:4][C:3]3=2)[CH:18]=[CH:17][CH:16]=1 | 1 |
C(C)OC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)NNC(NCCCN1CCCCC1)=S>N(C)(C)C=O.Cl.CN(CCCN=C=NCC)C>C(C)OC1=C(C=CC(=C1)[N+](=O)[O-])C1=NN=C(O1)NCCCN1CCCCC1 | 3 |
ClC1=C(C=CC(=C1)NC1=C(C=CC=C1)COCCOCCOC1OCCCC1)C(=O)C1=C(C=CC=C1)C>>ClC1=C(C=CC(=C1)NC1=C(C=CC=C1)COCCOCCO)C(=O)C1=C(C=CC=C1)C | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CN(C2=NC=CC=C21)CC2=COC=C2>ClCCl.C(=O)(C(F)(F)F)O>O1C=C(C=C1)CN1C=C(C=2C1=NC=CC2)N2CCCCC2 | 3 |
C(C)(C)C1=CC=C(C=C1)C(C#N)C>C1CCCO1.CSC.B>Cl.C(C)(C)C1=CC=C(C=C1)C(CN)C | 3 |
BrC=1C=C(C(=NC1)C#N)C>CO[H].C[O-].[Na+]>COC=1C=C(C(=NC1)C#N)C | 3 |
FC1=CC=C(C=C1)CCN.COC=1C(=NC=CC1)C=1C=C(C(=O)O)C=C(C1)N1N=NN=C1>C(=O)(C=1NC=CN1)C=1NC=CN1.CN1C(CCC1)=O>FC1=CC=C(C=C1)CCNC(C1=CC(=CC(=C1)N1N=NN=C1)C1=NC=CC=C1OC)=O | 3 |
Cl.CON.C(C)(C)(C)OC(N[C@@H]1C(CCCC1)=O)=O>>Cl.CO\N=C/1\[C@H](CCCC1)N | 5 |
FC1=CC(=C(OC=2C3=C(N=CN2)CN(CC3)C(=O)OC(C)(C)C)C=C1)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>FC1=CC(=C(OC=2C3=C(N=CN2)CNCC3)C=C1)C(F)(F)F | 3 |
ClCCCN1C(=C(C(=C1C)C(=O)OCC)C1=CC=CC=C1)C(=O)OCC>CO[H].C[O-].[Na+]>COCCCN1C(=C(C(=C1C)C(=O)OC)C1=CC=CC=C1)C(=O)OC | 3 |
C(N(CC)CC)C.[Si:8]([O:15][CH2:16][C@@H:17]([C:19]1[CH:24]=[CH:23][C:22]([F:25])=[C:21]([Cl:26])[CH:20]=1)[OH:18])([C:11]([CH3:14])([CH3:13])[CH3:12])([CH3:10])[CH3:9].[CH3:27][S:28](Cl)(=[O:30])=[O:29]>C(Cl)Cl>[CH3:27][S:28]([O:18][C@H:17]([C:19]1[CH:24]=[CH:23][C:22]([F:25])=[C:21]([Cl:26])[CH:20]=1)[CH2:16][O:15][Si:... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]([CH:12]2[CH2:16][CH2:15][N:14]([CH2:17][C:18]([OH:20])=O)[CH2:13]2)=[O:11])[CH:5]=[CH:6][C:7]=1[OH:8].C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.Cl.Cl.[N:44]1[CH:49]=[CH:48][CH:47]=[N:46][C:45]=1[C:50]1[CH:55]=[CH:54][C:53]([N:56]2[CH2:61][CH:60]3[CH2:62][CH:57]2[CH2:58][NH:59]3)=[CH:52]... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8]Cl)=[CH:4][C:3]=1[Cl:10].[NH:11]1[CH2:16][CH2:15][CH:14](NC(=O)OC(C)(C)C)[CH2:13][CH2:12]1.C[N:26](C=O)C>C(N(CC)CC)C>[Cl:10][C:3]1[CH:4]=[C:5]([CH:6]=[CH:7][C:2]=1[Cl:1])[CH2:8][N:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH:16]1[NH2:26] | 1 |
CO[C:3](=[O:23])[C:4]1[CH:9]=[C:8]([C:10]2[N:11]([CH:15]([CH3:17])[CH3:16])[N:12]=[CH:13][CH:14]=2)[C:7]([C:18]([F:21])([F:20])[F:19])=[CH:6][C:5]=1[NH2:22].CC[N:26]([CH2:29]C)CC.[CH3:31][S:32]([NH:35]N)(=[O:34])=[O:33].[OH-:37].[Na+]>C(Cl)Cl>[F:20][C:18]([F:19])([F:21])[C:7]1[CH:6]=[C:5]2[C:4]([C:3](=[O:23])[N:26]([NH... | 1 |
[C:1]([CH:5]1[CH2:9][S:8][CH2:7][C:6]1=O)(OC)=[O:2].C(O)(=O)C.[CH:15]([NH2:17])=[NH:16].[O-]CC.[Na+]>CCO>[N:16]1[C:6]2[CH2:7][S:8][CH2:9][C:5]=2[C:1](=[O:2])[NH:17][CH:15]=1 | 1 |
CC1(OC[C@H](O1)CN1N=C(C=C1)NC(=O)C1NC(C(C1C1=CC(=CC=C1)Cl)(C#N)C1=CC=C(C=C1)Cl)CC(C)(C)C)C>CO[H].C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>O[C@H](CN1N=C(C=C1)NC(=O)C1NC(C(C1C1=CC(=CC=C1)Cl)(C#N)C1=CC=C(C=C1)Cl)CC(C)(C)C)CO | 3 |
NC1=NC=CC=C1[N+](=O)[O-]>O.S(O)(O)(=O)=O.II.C(C)(=O)O.I(=O)(=O)(=O)O>IC=1C=C(C(=NC1)N)[N+](=O)[O-] | 3 |
Cl[C:2]1[N:3]=[CH:4][C:5]([C:8]([O:10]C)=[O:9])=[N:6][CH:7]=1.C([O-])([O-])=O.[K+].[K+].[CH3:18][C:19]1[N:23]=[CH:22][NH:21][N:20]=1.Cl>CN(C)C=O>[CH3:18][C:19]1[N:23]=[CH:22][N:21]([C:2]2[N:3]=[CH:4][C:5]([C:8]([OH:10])=[O:9])=[N:6][CH:7]=2)[N:20]=1 | 1 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.BrC=1C=CC=2N(C1)C(=NN2)SC=2C=C1C=C(C=NC1=CC2)N2CCN(CC2)C>>CN1CCN(CC1)C=1C=NC2=CC=C(C=C2C1)SC1=NN=C2N1C=C(C=C2)C(C)=O | 5 |
CS(=O)(=O)Cl.C1(=CC=CC=C1)C[C@@H](CNC=1C2=C(N=C(N1)C1=CC=NC=C1)C=NC=C2)N>>C1(=CC=CC=C1)CC(CNC=1C2=C(N=C(N1)C1=CC=NC=C1)C=NC=C2)NS(=O)(=O)C | 5 |
[OH:1][C:2]1[C:10]([N+:11]([O-:13])=[O:12])=[CH:9][C:5]([C:6](O)=[O:7])=[CH:4][C:3]=1[N+:14]([O-:16])=[O:15].S(Cl)([Cl:19])=O>COCCOC>[OH:1][C:2]1[C:10]([N+:11]([O-:13])=[O:12])=[CH:9][C:5]([C:6]([Cl:19])=[O:7])=[CH:4][C:3]=1[N+:14]([O-:16])=[O:15] | 2 |
ClC1=NC=C(C=C1Cl)C(F)(F)F.C(C1=CC=CC=C1)OCCN1N=C(C(=C1)CCO)OC(C)C>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OCCN1N=C(C(=C1)CCOC1=NC=C(C=C1Cl)C(F)(F)F)OC(C)C | 3 |
ClC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)Cl.Cl.C1(NCCC12CNCCC2)=O>>ClC1=C(C=CC(=C1)C(F)(F)F)S(=O)(=O)N1CC2(CCNC2=O)CCC1 | 5 |
[OH:1][C:2]1([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([O:15][CH2:16][C:17]3[CH:26]=[CH:25][C:24]4[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=4)[CH:18]=3)[CH:10]=2)[CH2:8][CH2:7][CH2:6][O:5][CH2:4][CH2:3]1.[CH3:27]I>>[CH3:27][O:1][C:2]1([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([O:15][CH2:16][C:17]3[CH:26]=[CH:25][C:24]4[C:19](=[CH:20][... | 1 |
N1C=CC2=CC=C(C=C12)B(O)O.ClC1=CC=C(N=N1)O[C@H]1CN2CCC1CC2>>FC(C(=O)O)(F)F.N1C=CC2=CC=C(C=C12)C1=CC=C(N=N1)O[C@H]1CN2CCC1CC2 | 5 |
[C:1]([N:5]1[C:10](=[O:11])[C:9]([Cl:12])=[C:8]([SH:13])[CH:7]=[N:6]1)([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+].[C:20]([C:24]1[CH:31]=[CH:30][C:27]([CH2:28]Cl)=[CH:26][CH:25]=1)([CH3:23])([CH3:22])[CH3:21]>C1C=CC=CC=1>[C:1]([N:5]1[C:10](=[O:11])[C:9]([Cl:12])=[C:8]([S:13][CH2:28][C:27]2[CH:30]=[CH:31][C:24]([... | 1 |
CN(C(=O)C1N(CC(C1)S(N)(=O)=O)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C>CO[H].[Pd]>CN(C(=O)C1NCC(C1)S(N)(=O)=O)C | 3 |
C[Si](C)(C)C=[N+]=[N-].FC1=C(C(=O)O)C=CN=C1C=C>C(C)OCC.CO[H].C(C)(=O)O>FC1=C(C(=O)OC)C=CN=C1C=C | 3 |
[Cl:1][C:2]1[CH:9]=[C:6]([CH:7]=[O:8])[C:5]([OH:10])=[CH:4][CH:3]=1.[CH2:11](Br)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.C(=O)([O-])[O-].[K+].[K+].CN(C)C=O>CCCCCCC.ClCCl.O>[CH2:11]([O:10][C:5]1[CH:4]=[CH:3][C:2]([Cl:1])=[CH:9][C:6]=1[CH:7]=[O:8])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 2 |
IC1=CC=C(C(=O)OCC)C=C1.COCC1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C>CCO[H].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>COCC1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCC | 3 |
COC1=C(C(=O)Cl)C=C(C=C1)N1N=NN=C1>O.C(C)(=O)OCC.C([O-])([O-])=O.[Na+].[Na+].C(C1=CC=C(C=C1)OC)(=O)[C@@]([C@@](C(=O)O)(O)C(C1=CC=C(C=C1)OC)=O)(O)C(=O)O.C1(=CC=CC=C1)C1(CNCC1)CCO>COC1=C(C(=O)N2CC(CC2)(CCO)C2=CC=CC=C2)C=C(C=C1)N1N=NN=C1 | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=C(C(N(C1CNC)C1=CC=C(C=C1)F)=O)C(=O)OCC>ClCCl.CCN(CC)CC>C(C)(C)(C)OC(=O)N(C)CC1=C(C=C(C(N1C1=CC=C(C=C1)F)=O)C(=O)OCC)Br | 3 |
[O:1]1[CH2:6][CH2:5][O:4][C:3]2[CH:7]=[C:8]([C@@H:11]3[C@H:15]4[C:16](=[O:26])[O:17][CH2:18][C@H:19]([C:20]5[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=5)[N:14]4[C@H](C4C=CC5OCCOC=5C=4)[O:12]3)[CH:9]=[CH:10][C:2]1=2.[NH:37]1[CH2:41][CH2:40][CH2:39][CH2:38]1>ClCCl>[O:1]1[CH2:6][CH2:5][O:4][C:3]2[CH:7]=[C:8]([C@@H:11]([OH:12])... | 2 |
Br[C:2]1[C:6]([CH:7]=[O:8])=[CH:5][S:4][CH:3]=1.[CH2:9]([C:11]1[CH:16]=[CH:15][C:14](B(O)O)=[CH:13][CH:12]=1)[CH3:10].C([O-])([O-])=O.[Na+].[Na+]>C1(C)C=CC=CC=1.CCO.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)C2... | 1 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC1CN(C1)C=1SC=C(N1)C(N[C@H](CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)C)=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>OC1CN(C1)C=1SC=C(N1)C(N[C@H](CO)C)=O | 3 |
[O:1]=[C:2]1[CH:8]2[CH:4]([CH2:5][CH:6]=[C:7]2[C:9]([OH:11])=[O:10])[CH2:3]1.[N+](=[CH2:14])=[N-]>O1CCCC1>[O:1]=[C:2]1[CH:8]2[CH:4]([CH2:5][CH:6]=[C:7]2[C:9]([O:11][CH3:14])=[O:10])[CH2:3]1 | 1 |
FC(C(=O)O)(F)F.NCC(=O)N1CCN(CC1)C(C1=C(C=CC=C1)C(F)(F)F)=O.OC1=CC=C(C=C1)C1=CC(=NO1)C(=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>O=C(CNC(=O)C1=NOC(=C1)C1=CC=C(C=C1)O)N1CCN(CC1)C(C1=C(C=CC=C1)C(F)(F)F)=O | 3 |
BrC1=C(C=C(C(=C1)C)OCC)CO>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>BrC1=C(C=O)C=C(C(=C1)C)OCC | 3 |
[Br-].[CH3:2][N:3]([CH3:26])[CH2:4][CH2:5][CH2:6][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.C([Li])CCC.[F:32][C:33]1[CH:54]=[CH:53][CH:52]=[C:51]([F:55])[C:34]=1[O:35][C:36]1[C:41]([CH:42]=O)=[CH:40][N:39]=[C:38]([NH:44][C:45]2[S:46][CH:47]=[C:48]([CH3:50])[N:49]=2)[CH:37]=1.[NH4+].[Cl-:57]>O.C1COCC1>[ClH:57].[ClH:57].[... | 1 |
ClCC1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2.C(C)(C)(C)OC(N[C@@H]1CC[C@H](CC1)N[C@H]1CCCC=2C=CC=NC12)=O>>C(C)(C)(C)OC(=O)N1C(=NC2=C1C=CC=C2)CN(C2CCCC=1C=CC=NC21)[C@@H]2CC[C@H](CC2)NC(=O)OC(C)(C)C | 5 |
[CH3:1][C@H:2]1[NH:7][CH2:6][CH2:5][N:4]([S:8]([C:11]2[CH:16]=[CH:15][C:14]([C:17]([F:20])([F:19])[F:18])=[CH:13][CH:12]=2)(=[O:10])=[O:9])[CH2:3]1.[N:21]1[N:25]2[CH:26]=[CH:27][CH:28]=[N:29][C:24]2=[C:23]([C:30](O)=[O:31])[CH:22]=1.C1C=CC2N(O)N=NC=2C=1.O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C... | 1 |
[CH2:1]([N:3]1[C:7]2=[N:8][C:9]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)=[C:10]([C:19]([O:21]CC)=[O:20])[C:11]([C:12]3[CH:13]=[N:14][CH:15]=[C:16]([CH3:18])[CH:17]=3)=[C:6]2[CH:5]=[N:4]1)[CH3:2].[OH-].[K+]>CCO.O>[CH2:1]([N:3]1[C:7]2=[N:8][C:9]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)=[C:10]([C:19]([OH:21]... | 1 |
C[C@@H](CN1CCOCC1)N.CC1=CC=C(C=C1)C1=CC(=CC(=C1)C=1SC=CN1)C(=O)O>ClCCl.CN1C(CCC1)=O.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C[C@H](CN1CCOCC1)NC(=O)C=1C=C(C=C(C1)C=1SC=CN1)C1=CC=C(C=C1)C | 3 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][C:9]1[S:13][C:12]([NH2:14])=[N:11][N:10]=1.C([O-])([O-])=O.[Na+].[Na+].[Cl:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1B(O)O>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=... | 2 |
C(C1=CC=CC=C1)C=1C=CC(=NC1)N>BrBr.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)C=1C=C(C(=NC1)N)Br | 3 |
[CH2:1]([O:4][C:5]([NH:7][C@H:8]([C:48]([OH:50])=O)[CH2:9][C:10]1[CH:15]=[CH:14][C:13]([N:16]([C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=2[C:32]([O:34][CH:35]([C:42]2[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=2)[C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)=[O:33])[C:17](=[O:25])[C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3... | 1 |
[Si]([O:18][CH2:19][C@:20]12[CH2:55][CH2:54][C@@H:53]([C:56]([CH3:58])=[CH2:57])[C@@H:21]1[C@@H:22]1[C@@:35]([CH3:38])([CH2:36][CH2:37]2)[C@@:34]2([CH3:39])[C@@H:25]([C@:26]3([CH3:52])[C@@H:31]([CH2:32][CH2:33]2)[C:30]([CH3:41])([CH3:40])[C:29]([C:42]2[CH:51]=[CH:50][C:45]([C:46]([O:48][CH3:49])=[O:47])=[CH:44][CH:43]=... | 1 |
C(NC(C)C)(C)C.C([Li])CCC.[CH3:13][O:14][C:15](=[O:30])[CH2:16][CH:17]1[CH2:22][CH2:21][N:20]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:19][CH2:18]1.[N+:31]([C:34]1[CH:41]=[CH:40][CH:39]=[CH:38][C:35]=1[CH:36]=[O:37])([O-:33])=[O:32]>O1CCCC1>[C:26]([O:25][C:23]([N:20]1[CH2:19][CH2:18][CH:17]([CH:16]([... | 1 |
FC1=CC=C(C=C1)C(=C)C1=C(N=C(C(=N1)C(=O)OC)C)NCCN1CCCC1>[HH].C(C)(=O)OCC.[Pd]>FC1=CC=C(C=C1)C(C)C1=C(N=C(C(=N1)C(=O)OC)C)NCCN1CCCC1 | 3 |
[CH2:1]([C:5]1([CH2:19][CH2:20][CH2:21][CH3:22])[C:17]2[CH:16]=[C:15](I)[CH:14]=[CH:13][C:12]=2[C:11]2[C:6]1=[CH:7][CH:8]=[CH:9][CH:10]=2)[CH2:2][CH2:3][CH3:4].[NH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.C(=O)([O-])[O-].[K+].[K+].C1O[CH2:52][CH2:51]OCCOCCOCCOCCOC1>CN(C)C=O.[Cu]>[CH2:1]([C:5]1([CH2:19][CH2:20... | 1 |
FC(/C=C/C(=O)OCC)(F)F.FC1=C(C=O)C(=CC=C1)O>CCN(CC)CC>FC1=C2C=C(C(OC2=CC=C1)C(F)(F)F)C(=O)OCC | 3 |
ClC(=O)OC1=CC=CC=C1.NC=1C=CC2=C(NC(CC(N2)C2=CC(=CC=C2)C2=CC(=NC(=C2)C)C)=O)C1>C1CCCO1.CN1CCOCC1>CC1=NC(=CC(=C1)C=1C=C(C=CC1)C1CC(NC2=C(N1)C=CC(=C2)NC([O-])=O)=O)C | 4 |
[NH2:1][C:2]1[NH:6][N:5]=[C:4]([CH3:7])[C:3]=1[C:8]1[CH:13]=[CH:12][C:11]([O:14][CH2:15][CH:16]2[CH2:21][CH2:20][N:19](C(OC(C)(C)C)=O)[CH2:18][CH2:17]2)=[C:10]([O:29][CH3:30])[CH:9]=1.[OH:31][C:32]1[CH:39]=[CH:38][C:35]([CH:36]=O)=[CH:34][CH:33]=1.[C:40]([OH:46])([C:42]([F:45])([F:44])[F:43])=[O:41]>CN(C=O)C>[F:43][C:4... | 1 |
CN([C@@H]1CNCC1)C.FC1=CC(=C(C=C1[N+](=O)[O-])NC1=NC=CC(=N1)C1=CN(C2=CC=CC=C12)C)OC>>CN([C@@H]1CN(CC1)C1=CC(=C(C=C1[N+](=O)[O-])NC1=NC=CC(=N1)C1=CN(C2=CC=CC=C12)C)OC)C | 5 |
C1(CCCCC1)NC(C)=O>COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>C(C)(=S)NC1=CC=CC=C1 | 3 |
COC(=O)C1=CC=CC2=CC(=CC=C12)OS(=O)(=O)C(F)(F)F.ClC1=C(C=CC(=C1)O[Si](C)(C)C(C)(C)C)B(O)O>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=C(C=CC(=C1)O)C=1C=C2C=CC=C(C2=CC1)C(=O)OC | 3 |
NC1=CC=C(C#N)C=C1.C(C)C1=CC(=CC=2C(=COC21)C)C=O>>C(#N)C1=CC=C(C=C1)NC(C(=O)OC)C=1C=C(C2=C(C(=CO2)C)C1)CC | 5 |
S(=O)(=O)(C1=CC=C(C)C=C1)N1N=CC=2C(CCCC12)=O>>S(=O)(=O)(C1=CC=C(C)C=C1)N1N=CC=2C(CCCC12)O | 5 |
[CH:1]([C:3]1[CH:13]=[CH:12][C:6]([O:7][CH2:8][C:9]([OH:11])=O)=[CH:5][CH:4]=1)=[O:2].C(N(CC)CC)C.CC(C)(C)C(Cl)=O.[CH2:28]([NH:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH3:64])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:... | 1 |
[C:1]([S:26]([OH:29])(=[O:28])=[O:27])([C:4]([C:7]([C:10]([C:13]([C:16]([C:19]([C:22]([F:25])([F:24])[F:23])([F:21])[F:20])([F:18])[F:17])([F:15])[F:14])([F:12])[F:11])([F:9])[F:8])([F:6])[F:5])([F:3])[F:2].[P].FF>>[O:27]([S:26]([C:1]([C:4]([C:7]([C:10]([C:13]([C:16]([C:19]([C:22]([F:23])([F:24])[F:25])([F:20])[F:21])(... | 1 |
[CH2:1]([N:3](C(OC(C)(C)C)=O)[CH2:4][CH2:5][CH2:6][N:7](C(OC(C)(C)C)=O)[CH2:8]/[CH:9]=[CH:10]/[CH2:11][N:12](C(OC(C)(C)C)=O)[CH2:13][CH2:14][CH2:15][N:16]([CH2:24][CH2:25][CH3:26])C(OC(C)(C)C)=O)[CH3:2].[ClH:48]>C(OCC)C>[ClH:48].[ClH:48].[ClH:48].[ClH:48].[CH2:1]([NH:3][CH2:4][CH2:5][CH2:6][NH:7][CH2:8]/[CH:9]=[CH:10]/... | 1 |
C[O:2][C:3](=[O:26])[CH2:4][NH:5][C:6](=[O:25])[C:7]1[CH:12]=[CH:11][C:10]([C:13]2[C:14]([C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)=[N:15][O:16][C:17]=2[CH3:18])=[CH:9][CH:8]=1.[OH-].[Na+]>CO>[CH3:18][C:17]1[O:16][N:15]=[C:14]([C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][CH:24]=2)[C:13]=1[C:10]1[CH:11]=[CH:12][C:7]([C:6]... | 2 |
O1C(CCCC1)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C.BrC=1C2=C(N(N1)C=1C=NC(=C(C1)C)OC)CCOCC2>>COC1=C(C=C(C=N1)N1N=C(C2=C1CCOCC2)C=2C=NN(C2)C2OCCCC2)C | 5 |
CC1C2=C(CN(C1)C(=O)OC(C)(C)C)C(=NN2)C(NC=2C=C(C=CC2)C)=O.ClCC1=C2C=CC(=CC2=CC=C1)NC(OC(C)(C)C)=O>O.C([O-])([O-])=O.[K+].[K+].CS(=O)C>C(C)(C)(C)OC(=O)NC=1C=C2C=CC=C(C2=CC1)CN1N=C(C=2CN(CC(C21)C)C(=O)OC(C)(C)C)C(NC=2C=C(C=CC2)C)=O | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:10]=O)[C:5]([CH:8]=O)=[CH:6][CH:7]=1.[C:12]1(=[O:19])[CH2:17][CH2:16][C:15](=[O:18])[CH2:14][CH2:13]1.[OH-].[Na+]>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]2[C:4](=[CH:10][C:17]3[C:12](=[O:19])[C:13]4[C:14]([C:15](=[O:18])[C:16]=3[CH:8]=2)=[CH:10][C:4]2[C:5](=[CH:6][CH:7]=[C:2]([Br:1])[CH:3]=2)[CH:8]=... | 2 |
CS(=O)(=O)Cl.FC1(C(C1)CO)F>C1CCCO1.CCN(CC)CC>CS(=O)(=O)OCC1C(C1)(F)F | 3 |
[NH2:1][C:2]1[C:3](=[O:35])[N:4]([CH2:14][C:15]([NH:17][CH:18]([CH:32]([CH3:34])[CH3:33])[CH:19]([O:24][Si:25]([C:28]([CH3:31])([CH3:30])[CH3:29])([CH3:27])[CH3:26])[C:20]([F:23])([F:22])[F:21])=[O:16])[C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[CH:6][CH:7]=1.[CH3:36][O:37][C:38]1[CH:43]=[CH:42][C:41]([CH2:44]... | 1 |
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