smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
NC1=C(C=C(C=C1)Br)C(CC)=O>>NC1=C(C=C(C=C1Cl)Br)C(CC)=O | 5 |
[C:1](=[O:4])([O-])[O-:2].[Cs+].[Cs+].C([C@H]1COC(=O)N1C(=O)[CH2:21][C@@H:22]([C:28]1[CH:33]=[CH:32][C:31]([OH:34])=[CH:30][CH:29]=1)[C:23]1[CH:27]=[CH:26][O:25][N:24]=1)C1C=CC=CC=1.Cl[CH2:37][C:38]1[S:42][C:41]([C:43]2[CH:48]=[CH:47][C:46]([Cl:49])=[CH:45][CH:44]=2)=[N:40][C:39]=1[CH3:50].OO.[Li+].[OH-].C(O)(=O)CC(CC(... | 1 |
C1(=CC=CC=C1)CCN.ClC1=CC=C(C=C1)C=1OC(C2=C(N1)C=CC=C2)=O>>ClC1=CC=C(C=C1)C1=NC2=CC=CC=C2C(N1CCC1=CC=CC=C1)=O | 3 |
ClC=1C=CC2=C([C@H](O[C@@H](C=3N2C(=NN3)C(F)(F)F)CC(=O)OCC)C3=C(C(=CC=C3)OC)OC)C1>Cl.O1CCOCC1>ClC=1C=CC2=C([C@H](O[C@@H](C=3N2C(=NN3)C(F)(F)F)CC(=O)O)C3=C(C(=CC=C3)OC)OC)C1 | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([N:10]2[CH2:14][CH2:13][NH:12][C:11]2=[O:15])=[CH:6][CH:5]=1)([O-])=O.[H][H]>CN(C=O)C.C1COCC1.[Pd]>[NH2:1][C:4]1[CH:5]=[CH:6][C:7]([N:10]2[CH2:14][CH2:13][NH:12][C:11]2=[O:15])=[CH:8][CH:9]=1 | 2 |
BrC=1C(N(C2=CC=C(C=C2C1NC(C)(CCO)C)[N+](=O)[O-])C)=O>CC(C)(C)[O-].[K+].O.C(C)(=O)OCC.CS(=O)C>CC1(NC2=C(C(N(C=3C=CC(=CC23)[N+](=O)[O-])C)=O)OCC1)C | 3 |
[Cl:1][C:2]1[N:7]=[C:6]([CH3:8])[C:5]([NH2:9])=[CH:4][CH:3]=1.C(N(CC)CC)C.[C:17](OC(=O)C)(=[O:19])[CH3:18]>ClCCl>[Cl:1][C:2]1[N:7]=[C:6]([CH3:8])[C:5]([NH:9][C:17](=[O:19])[CH3:18])=[CH:4][CH:3]=1 | 1 |
[CH3:1][O:2][C:3]([C:5]1([C:8](O)=[O:9])[CH2:7][CH2:6]1)=[O:4].C(N(CC)CC)C.CC(C)CC(Cl)=O.[BH4-].[Na+].Cl>C1COCC1.O>[CH3:1][O:2][C:3]([C:5]1([CH2:8][OH:9])[CH2:7][CH2:6]1)=[O:4] | 1 |
COC1=C(C=CC=C1)N(C(C1=CC=C(C=C1)CN1C(C=2C(C1=O)=CC=CC2)=O)=O)CC2OCCO2>C1CCCO1.Cl>C(=O)CN(C(C1=CC=C(C=C1)CN1C(C=2C(C1=O)=CC=CC2)=O)=O)C2=C(C=CC=C2)OC | 3 |
C(C)(=O)OC(C)=O.C(C)OC(C(O)C1=CC(=C(C=C1)SC)Cl)=O>>C(C)OC(C(C1=CC(=C(C=C1)SC)Cl)OC(C)=O)=O | 5 |
BrCC(=O)OCC.COC=1C=C(C=C(C1)OC)C1=NN(C=2NC(C=C(C21)C)=O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>COC=1C=C(C=C(C1)OC)C1=NN(C2=NC(=CC(=C21)C)OCC(=O)OCC)C | 3 |
[F:1][CH:2]([F:6])[C:3]([CH3:5])=[O:4].[H-].[Li+].[C:9]([O:16][CH2:17][CH3:18])(=[O:15])[C:10]([O:12][CH2:13][CH3:14])=[O:11].C(O)(=O)C.C([O-])(=O)C.[Cu+2:27].C([O-])(=O)C>C(OCC)C.O>[CH2:13]([O:12][C:10](=[O:11])[C:9](=[O:15])[CH:5]=[C:3]([O-:4])[CH:2]([F:6])[F:1])[CH3:14].[Cu+2:27].[CH2:17]([O:16][C:9](=[O:15])[C:10](... | 2 |
ClC=1C2=C(N=C(N1)C)C(=C(N2)N)S(=O)(=O)C2=C(C=CC=C2)F.Cl.CC1(CNCCO1)C(F)(F)F>CCN(CC)CC.CCO[H]>FC1=C(C=CC=C1)S(=O)(=O)C1=C(NC2=C1N=C(N=C2N2CC(OCC2)(C(F)(F)F)C)C)N | 3 |
S1C(=CC=C1)C(=O)NC1=C(CCCC1)C(=O)OCC.S1C(=CC=C1)C(=O)NC1=C(CCCC1)C(=O)O>O.C1CCCO1.ClCCl.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C.O[Li].O>S1C(=CC=C1)C1=NC2=C(C(O1)=O)CCCC2 | 3 |
[NH2:1][C:2]1[CH:10]=[CH:9][C:8]([N:11]([CH3:13])[CH3:12])=[CH:7][C:3]=1[C:4]([NH2:6])=[O:5].N1CC[CH2:16][CH2:15]1>>[NH2:1][C:2]1[CH:10]=[CH:9][C:8]([N:11]2[CH2:13][CH2:16][CH2:15][CH2:12]2)=[CH:7][C:3]=1[C:4]([NH2:6])=[O:5] | 1 |
COC(C1=CC(=CC=C1)C(C1=CC=CC=C1)=O)=O>>COC(C1=CC(=CC=C1)CC1=CC=CC=C1)=O | 5 |
[ClH:1].[C:2]([NH:6][CH2:7][C:8]([C:10]1[CH:15]=[CH:14][C:13]([O:16][C:17](=[O:26])[C:18]2[CH:23]=[CH:22][C:21]([O:24][CH3:25])=[CH:20][CH:19]=2)=[C:12]([O:27][C:28](=[O:37])[C:29]2[CH:34]=[CH:33][C:32]([O:35][CH3:36])=[CH:31][CH:30]=2)[CH:11]=1)=[O:9])([CH3:5])([CH3:4])[CH3:3]>[Pd].C(O)C>[ClH:1].[C:28]([O:27][C:12]1[C... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)N(CCNCCN)CC>CO[H]>C(C)(C)(C)OC(NCCNCCN(CC)CC)=O | 3 |
IC1CN(C1)C(=O)OC(C)(C)C.FC1=CC(=C(C=C1)C1=C(C=NC=C1)N(C(C1=CC(=CC(=C1)C(F)(F)F)S)=O)C)OC>>C(C)(C)(C)OC(=O)N1CC(C1)SC1=CC(=CC(=C1)C(F)(F)F)C(N(C)C=1C=NC=CC1C1=C(C=C(C=C1)F)OC)=O | 5 |
ClC=1C=C(C=CC1Cl)[C@@H]1CN(CCO[C@@H]1CNS(=O)(=O)C=C)C(=O)OC(C)(C)C>>ClC=1C=C(C=CC1Cl)[C@@H]1CN(CCO[C@@H]1CNS(=O)(=O)CCOC)C(=O)OC(C)(C)C | 5 |
NC1=CC(=NC=C1)OC>N(C)(C)C=O.ClN1C(CCC1=O)=O>ClC=1C(=NC=CC1N)OC | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10](=[S:18])[C:11]2[CH:16]=[CH:15][C:14](C)=[CH:13][CH:12]=2)=[CH:5][CH:4]=1)#[N:2].[CH2:19](O)[CH3:20].[OH-:22].[Na+]>O.[Fe-3](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+]>[C:13]1([CH3:12])[CH:14]=[CH:15][C:16]([C:11]([C:10]2[S:18][C:5]3[CH:4]=[C:3]([C:1]#[N:2])[CH:8]=[CH:7][C:6]=... | 2 |
BrCC1CC1.OC=1C(C(=NN(C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=NN1C1=CC=CC=C1)=O>>C1(CC1)COC=1C(C(=NN(C1)C1=CC(=CC=C1)C(F)(F)F)C1=CC=NN1C1=CC=CC=C1)=O | 5 |
[C:1]1([S:11]([C:14]2[C:22]3[C:17](=[CH:18][CH:19]=[C:20]([O:23][CH2:24][CH2:25][CH2:26]OS(C4C=CC(C)=CC=4)(=O)=O)[CH:21]=3)[NH:16][N:15]=2)(=[O:13])=[O:12])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.[CH3:38][NH:39][CH2:40][CH3:41]>>[CH2:40]([N:39]([CH3:38])[CH2:26][CH2:25][CH2:24][O:23][C:20]1[CH:2... | 2 |
NC(C(=O)O)(C)C>Cl.O1CCOCC1.CC(C)C(C(C)C)O>Cl.NC(C(=O)OCCC(CC)(C)C)(C)C | 3 |
C(=O)([O-])[O-].[Na+].[Na+].[C:7]1([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH:12]=[CH:11][C:10](B(O)O)=[CH:9][CH:8]=1.Br[C:23]1[C:24]([NH2:29])=[N:25][CH:26]=[CH:27][CH:28]=1.O>C1COCC1.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... | 1 |
IC=1C=C2C(=NN(C2=CC1)C)C=O.FC=1C(=C(C=CC1)B(O)O)O>C(C)(=O)OCC.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>FC=1C(=C(C=CC1)C=1C=C2C(=NN(C2=CC1)C)C=O)O | 3 |
[N+:1]([C:4]1[C:8]2=[N:9][CH:10]=[CH:11][CH:12]=[C:7]2[NH:6][CH:5]=1)([O-])=O>[Pd].CO>[NH2:1][C:4]1[C:8]2=[N:9][CH:10]=[CH:11][CH:12]=[C:7]2[NH:6][CH:5]=1 | 2 |
[Br:1][C:2]1[CH:7]=[C:6]([N+:8]([O-])=O)[CH:5]=[CH:4][C:3]=1[C:11]([CH3:19])([CH3:18])[CH2:12][CH2:13][NH:14][C:15](=[O:17])[CH3:16]>CO.O=[Pt]=O>[NH2:8][C:6]1[CH:5]=[CH:4][C:3]([C:11]([CH3:19])([CH3:18])[CH2:12][CH2:13][NH:14][C:15](=[O:17])[CH3:16])=[C:2]([Br:1])[CH:7]=1 | 2 |
ClC1C(F)=C(N[C:9]([CH3:19])=[C:10]([N+:16]([O-:18])=[O:17])[C:11]([O:13][CH2:14][CH3:15])=[O:12])C=CC=1.[N+]([CH2:24][C:25](OCC)=[O:26])([O-])=O.C(C(CC)(CC)C([O-])([O-])[O-])C.C(O)C>C1(C)C=CC=CC=1>[CH2:25]([O:26][C:9]([CH3:19])=[C:10]([N+:16]([O-:18])=[O:17])[C:11]([O:13][CH2:14][CH3:15])=[O:12])[CH3:24] | 1 |
BrC1=CC=C(C=N1)CN1N=C(C(C2=C1N=CC=C2)=O)C(=O)OCC>C1(=CC=CC=C1)C.O1CCOCC1.COC=1C=CC(=CC1)P2(=S)SP(=S)(S2)C=3C=CC(=CC3)OC>BrC1=CC=C(C=N1)CN1N=C(C(C2=C1N=CC=C2)=S)C(=O)OCC | 3 |
C(C1=CC=CC=C1)Br.C(C)(C)C1=CC=C(C=C1)C1=NC(NC2=CC=C(C=C12)OCC#C)=S>C1CCCO1.C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)SC1=NC2=CC=C(C=C2C(=N1)C1=CC=C(C=C1)C(C)C)OCC#C | 3 |
ClC1=C(C2=C(C=3C(=NC(=NC13)OC[C@]13CCCN3C[C@@H](C1)F)O)COC2)C2=CC=C(C=1SC(=C(C12)C#N)NC(OC(C)(C)C)=O)F.Cl.N1=NC=C(C=C1)CN>CC#N.C(C)(C)N(C(C)C)CC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>ClC1=C(C2=C(C=3C(=NC(=NC13)OC[C@]13CCCN3C[C@@H](C1)F)NCC1=CN=NC=C1)COC2)C2=CC=C(C=1SC(=C(C12)C#N)NC(OC(C... | 3 |
C(C)N=C=O.NC=1C=C(OC=2C=CC=3N(N2)C=C(N3)NC(=O)C3CC3)C=CC1>>C(C)NC(=O)NC=1C=C(OC=2C=CC=3N(N2)C=C(N3)NC(=O)C3CC3)C=CC1 | 5 |
[ClH:1].[CH2:2]1[O:27][C:26]2[CH:25]=[CH:24][C:6]([O:7][CH2:8][C@H:9]3[C@H:14]([C:15]4[CH:20]=[CH:19][C:18]([N+:21]([O-:23])=[O:22])=[CH:17][CH:16]=4)[CH2:13][CH2:12][NH:11][CH2:10]3)=[CH:5][C:4]=2[O:3]1.C([O-])([O-])=O.[K+].[K+].Br[CH2:35][CH2:36][CH2:37][CH2:38][CH3:39]>C(O)C>[ClH:1].[CH2:2]1[O:27][C:26]2[CH:25]=[CH:... | 1 |
BrC=1C(=C(C=CC1C)/C=C/C(=O)Cl)F>O.O1CCOCC1.[N-]=[N+]=[N-].[Na+]>BrC=1C(=C(C=CC1C)/C=C/C(=O)N=[N+]=[N-])F | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH:9]([CH2:12][CH2:13][CH3:14])[C:10]#[N:11].[CH3:15][O:16][C:17]([NH:19]N)=[O:18].C(O)(=O)C.[H][H]>[Ni].C(O)C.C(Cl)(Cl)Cl>[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH:9]([CH2:12][CH2:13][CH3:14])[CH:10]=[N:11][NH:19][C:17]([O:16][CH3:15])=[O:18] | 1 |
[CH2:1]([O:3][C:4]1[CH:17]=[CH:16][C:7](/[CH:8]=[C:9]2/[C:10](=[O:15])[NH:11][C:12](=[O:14])[S:13]/2)=[CH:6][CH:5]=1)[CH3:2].[N:18]1[CH:23]=[CH:22][CH:21]=[C:20]([CH2:24]Cl)[CH:19]=1.Cl.[I-].[Na+].C(=O)([O-])[O-].[K+].[K+].C(OC1C=CC(/C=C2/C(=O)N(CCC)C(=O)S/2)=CC=1)C>>[CH2:1]([O:3][C:4]1[CH:17]=[CH:16][C:7](/[CH:8]=[C:9... | 1 |
[O:1]([C:8]1[C:21](=[O:22])[N:20]([CH3:23])[C:11]2[N:12]=[C:13](S(C)(=O)=O)[N:14]=[CH:15][C:10]=2[CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:24]([NH2:32])[CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1.CO>CN1CCCC1=O>[CH3:23][N:20]1[C:11]2[N:12]=[C:13]([NH:32][CH2:24][CH2:25][C:26]3[CH:31]=[CH:30][CH:2... | 2 |
CC=1C(=C(C=CC1)C=1NC=CN1)[N+](=O)[O-]>>N1C(=NC=C1)C1=C(C(=CC=C1)C)N | 5 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH:13]=[N:12][C:11]([C:14]([OH:16])=O)=[N:10]2)=[C:5]([F:17])[CH:4]=1)#[N:2].[C:18]([O:22][C:23]([N:25]1[CH2:30][CH2:29][CH:28]([NH:31][CH:32]2[CH2:34][CH2:33]2)[CH2:27][CH2:26]1)=[O:24])([CH3:21])([CH3:20])[CH3:19]>>[C:18]([O:22][C:23]([N:25]1[CH2:30][CH2:29][CH:28]([N:31]([C:14](... | 2 |
[N:1]1[C:6]2[NH:7][C:8]3[CH2:16][CH:15]4[N:11]([CH2:12][CH2:13][CH2:14]4)[CH2:10][C:9]=3[C:5]=2[CH:4]=[CH:3][CH:2]=1.[H-].[Na+].CC1C=CC(S(O[CH2:30][CH2:31][C:32]2[CH:33]=[N:34][C:35]([CH3:38])=[CH:36][CH:37]=2)(=O)=O)=CC=1>CN(C=O)C.O>[CH3:38][C:35]1[N:34]=[CH:33][C:32]([CH2:31][CH2:30][N:7]2[C:8]3[CH2:16][CH:15]4[N:11]... | 1 |
C(C)OC(=O)C(=CO)C=1N(C=CC1C(=O)OCC)CC1=CC=C(C=C1)OC>>NC=C(C(=O)OCC)C=1N(C=CC1C(=O)OCC)CC1=CC=C(C=C1)OC | 5 |
[C:1]([CH:3]([CH:7]1[C:11]([Cl:12])=[C:10](Cl)C(=O)O1)[C:4]([NH2:6])=[O:5])#[N:2].Cl.[CH3:16][C:17]1[CH:18]=[CH:19][C:20]([S:25]([CH3:28])(=[O:27])=[O:26])=[C:21]([CH2:23][NH2:24])[CH:22]=1.C(=O)([O-])[O-].[K+].[K+].[OH-].[Na+]>C(O)C>[ClH:12].[Cl:12][C:11]1[CH:7]=[C:3]([C:4]([NH2:6])=[O:5])[C:1](=[NH:2])[N:24]([CH2:23]... | 1 |
BrC1=NC(=CC=C1)Br>C1CCCCC1.C(CCC)[Li]>C(C)(=O)C1=NC(=CC=C1)Br | 3 |
CC1=NNC(=C1)C>>OCN1N=C(C=C1C)C | 5 |
[C-]#N.[Zn+2].[C-]#N.BrC1=NC(=CC=C1N1CCN(CC1)C(=O)OC(C)(C)C)C(NC)=O>N(C)(C)C=O.O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(#N)C1=NC(=CC=C1N1CCN(CC1)C(=O)OC(C)(C)C)C(NC)=O | 3 |
C(C)OC(=O)C=1NC2=CC=C(C=C2C1)[N+](=O)[O-]>>[N+](=O)([O-])C=1C=C2C=C(NC2=CC1)C(=O)O | 5 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][CH:3]=1.[CH2:9]([CH:12]([C:18](OCC)=[O:19])[C:13](OCC)=[O:14])[CH2:10][CH3:11]>C1(OC2C=CC=CC=2)C=CC=CC=1>[Cl:1][C:2]1[CH:8]=[C:7]2[C:5](=[CH:4][CH:3]=1)[NH:6][C:13](=[O:14])[C:12]([CH2:9][CH2:10][CH3:11])=[C:18]2[OH:19] | 2 |
FC1=C(C=C(C=C1)S(=O)(=O)Cl)C#N.COC1=C(CNC2=NC=NS2)C=CC(=C1)OC>>C(#N)C=1C=C(C=CC1F)S(=O)(=O)N(C1=NC=NS1)CC1=C(C=C(C=C1)OC)OC | 5 |
CC1OCCC1.C(#N)C1=CC=C(C=C1)N(C(OC(C)(C)C)=O)CS(=O)(=O)C1=CC=CC=C1.FC(C1=NC=CC(=C1)NC1=CC(CC1)=O)(F)F>O.[H-].[Na+]>C(#N)C1=CC=C(C=C1)N(C(OC(C)(C)C)=O)CC1=C(CCC1=O)NC1=CC(=NC=C1)C(F)(F)F | 3 |
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.BrC(CCO)=C>ClCCl.C(C)(C)N(C(C)C)CC>BrC(CCO[Si](C)(C)C(C)(C)C)=C | 3 |
ClC=1C=C(C=CC1)C=1C=C(C(=O)O)C=C(C1OCCO)C1=CC(=CC=C1)Cl.N1(C=CC2=CC=CC=C12)CCCCCCCCN>ClCCl.CCN(CC)CC.C1(CCCCC1)N=C=NC1CCCCC1.OC1=CC=CC=2NN=NC21>ClC=1C=C(C=CC1)C1=C(C(=CC(=C1)C(NCCCCCCCCN1C=CC2=CC=CC=C12)=O)C1=CC(=CC=C1)Cl)OC(C)O | 3 |
[CH3:1][N:2]1[C:7](=[O:8])[C:6]([CH3:9])=[CH:5][C:4]([C:10]([OH:12])=O)=[CH:3]1.[CH2:13]([NH:20][C:21]1[C:22]([NH2:34])=[CH:23][CH:24]=[C:25]([N:27]2[CH2:32][CH2:31][N:30]([CH3:33])[CH2:29][CH2:28]2)[CH:26]=1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.C(N(CC)CC)C>C1COCC1>[CH2:13]([NH:20][C:21]1[CH:26]=[C:25]([N:27]... | 1 |
C[Si](C)(C)CCOC[N:7](COCC[Si](C)(C)C)[C:8]1[N:13]2[N:14]=[CH:15][C:16]([C:17]3[CH:18]=[N:19][C:20]([C:23]4[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=4)=[CH:21][CH:22]=3)=[C:12]2[N:11]=[C:10]([CH:29]2[CH2:34][CH2:33][N:32](C(OC(C)(C)C)=O)[CH2:31][CH2:30]2)[C:9]=1Br.C([Sn](CCCC)(CCCC)[C:58]([O:60]CC)=[CH2:59])CCC>O1CCOCC1.C1C... | 1 |
ClC1=CC=C(OCCC(C(=O)OC(C)(C)C)(CCCCB2OC(C(O2)(C)C)(C)C)N=C(C2=CC=CC=C2)C2=CC=CC=C2)C=C1>>Cl.NC(C(=O)O)(CCCCB(O)O)CCOC1=CC=C(C=C1)Cl | 5 |
CS(=O)(=O)C1=CC=C(CBr)C=C1.BrC=1C(=C(C=2N(C1)C(NN2)=O)C2=CC(=CC=C2)C(F)(F)F)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C(=C(C=2N(C1)C(N(N2)CC2=CC=C(C=C2)S(=O)(=O)C)=O)C2=CC(=CC=C2)C(F)(F)F)C | 3 |
C(C)OC(OCC)OCC.NC1=NC=CC=C1O>>O1C=NC2=NC=CC=C21 | 5 |
ClC=1N=NC(=CC1)Cl.C(C)(C)(C)OC(=O)N1[C@@H](CNCC1)C>>ClC1=CC=C(N=N1)N1C[C@H](N(CC1)C(=O)OC(C)(C)C)C | 5 |
NC1=NC=C(N=C1OC)C.C(C(C)C)C1=C(C=C(C=C1)C=1C(=CC=CC1)S(=O)(=O)Cl)[N+](=O)[O-]>c1ccncc1>C(C(C)C)C1=C(C=C(C=C1)C=1C(=CC=CC1)S(=O)(=O)NC1=NC=C(N=C1OC)C)[N+](=O)[O-] | 3 |
[S:1]([C:5]1[O:16][C:8]2=[N:9][CH:10]=[C:11](C(O)=O)[CH:12]=[C:7]2[CH:6]=1)(=[O:4])(=[O:3])[NH2:2].C(Cl)(Cl)Cl.[OH-].[Na+]>N1C2C(=CC=CC=2)C=CC=1.[Cu]>[S:1]([C:5]1[O:16][C:8]2=[N:9][CH:10]=[CH:11][CH:12]=[C:7]2[CH:6]=1)(=[O:3])(=[O:4])[NH2:2] | 1 |
Br[C:2]1[S:6][C:5]([C:7]([C:9]2[C:10]3[S:21][CH:20]=[CH:19][C:11]=3[N:12]=[C:13]([C:15]([F:18])([F:17])[F:16])[N:14]=2)=[O:8])=[CH:4][CH:3]=1.[CH3:22][NH:23][CH3:24].O>CCO>[CH3:22][N:23]([CH3:24])[C:2]1[S:6][C:5]([C:7]([C:9]2[C:10]3[S:21][CH:20]=[CH:19][C:11]=3[N:12]=[C:13]([C:15]([F:18])([F:17])[F:16])[N:14]=2)=[O:8])... | 1 |
C(C)(C)(C)OC(=O)N1C[C@@H](N(CC1)CC=1C=NC=C(C1)Br)C1=CC=C(C=C1)F>O.ClCCl.C(=O)(C(F)(F)F)O>BrC=1C=C(C=NC1)CN1[C@H](CNCC1)C1=CC=C(C=C1)F | 3 |
BrC=1C=CC(=NC1[C@H]1N(CCC1)[C@H](C)C1=CC=C(C=C1)OC)NC(=O)C1CC1>C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>BrC=1C=CC(=NC1C1NCCC1)NC(=O)C1CC1 | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[CH:4][C:3]=1[N:11]=[C:12]=[O:13].[NH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>C(OCC)(=O)C>[Cl:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[CH:4][C:3]=1[NH:11][C:12]([NH:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:13] | 2 |
[CH2:1]([O:3][C:4]([C:6]1[NH:35][C:9]2[C:10](=[O:34])[N:11]([CH3:33])[CH:12]=[C:13]([C:14]3[CH:19]=[C:18]([CH2:20][S:21]([CH3:24])(=[O:23])=[O:22])[CH:17]=[CH:16][C:15]=3[NH:25][C:26]3[CH:31]=[CH:30][C:29]([F:32])=[CH:28][CH:27]=3)[C:8]=2[CH:7]=1)=[O:5])[CH3:2].Cl.[CH2:37]=O>CO>[CH2:1]([O:3][C:4]([C:6]1[NH:35][C:9]2[C:... | 2 |
[Br-].C[Mg+].C(C)(=O)O[C@@]1([C@H](O[C@H]([C@@H]1OC(C)=O)N1C=CC2=C1N=CN=C2C)C(=O)C=2C=C(C(=C1CCN(CC21)C(=O)OC(C)(C)C)F)C(F)F)C>C1CCCO1.C(C)(=O)O.[Cl-].[NH4+]>C(C)(=O)O[C@@]1([C@H](O[C@H]([C@@H]1OC(C)=O)N1C=CC2=C1N=CN=C2C)C(C)(O)C=2C=C(C(=C1CCN(CC21)C(=O)OC(C)(C)C)F)C(F)F)C | 3 |
CS(=O)(=O)NC=1C=C(C=CC1)B(O)O.IC1=NN(C2=NC=NC(=C21)N)C(C)C=2C=C1C=CC=CN1C2C2=NC=CC=C2>>NC1=C2C(=NC=N1)N(N=C2C=2C=C(C=CC2)NS(=O)(=O)C)C(C)C=2C=C1C=CC=CN1C2C2=NC=CC=C2 | 5 |
C1(=CC=CC=C1)PC1=CC=CC=C1.ClC=1C=CC(=C(C1)B(O)O)F.CCC(C)(O)C=1C=NC(=CC1Cl)Cl>N(C)(C)C=O.O.[Pd].C(O)([O-])=O.[Na+]>ClC1=C(C=NC(=C1)C1=C(C=CC(=C1)Cl)F)C(C)(C)O | 3 |
CN1CCNCC1.C(#N)C1=CC=C(C=C1)C1=CN=C2N1N=C(C=C2)C2=CC(=C(C(=O)O)C=C2)C>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CC=1C=C(C=CC1C(=O)N1CCN(CC1)C)C=1C=CC=2N(N1)C(=CN2)C2=CC=C(C#N)C=C2 | 3 |
ClC1=C(C(=CC=C1)Cl)C1=NC2=CC=C(C=C2C=C1)C=C(C(=O)OC)O>>ClC1=C(C(=CC=C1)Cl)C1=NC2=CC=C(C=C2C=C1)CC(C(=O)OC)O | 5 |
[C:1]([O:5][C:6](=[O:20])[C@@H:7]([NH:11][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=1[NH2:19])[CH:8]([CH3:10])[CH3:9])([CH3:4])([CH3:3])[CH3:2].[C:21](N1C=CN=C1)(N1C=CN=C1)=[O:22]>C1COCC1>[C:1]([O:5][C:6](=[O:20])[C@@H:7]([N:11]1[CH2:12][C:13]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[NH:19][C:21]1=[O:22])[CH:8... | 1 |
[N+](=O)([O-])C1=CC=C(C(=O)Cl)C=C1.NC1=CC=C(C=C(C(=O)OC)C(=O)OC)C=C1>>[Na+].[Na+].NC1=CC=C(C(=O)NC2=CC=C(CC(C(=O)[O-])C(=O)[O-])C=C2)C=C1 | 5 |
CB1OB(OB(O1)C)C.C(=O)O.BrC1=CC(=C(C=C1)C=1C=2N(C(=NN1)N[C@H]1CN(CCC1)C)N=C(C2)C)OC(F)(F)F>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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=NN2C(=NN=C(C2=C1)C1=C(C=C(C=C1)C)OC(F)(F)F)N[C@H]1... | 3 |
[Cl-].[F:2][C:3]1[CH:25]=[CH:24][C:6]([C:7]([CH2:9][CH2:10][CH2:11][N+:12]2[CH:17]=[CH:16][C:15]([C:18]3[S:19][CH:20]=[C:21]([CH3:23])[N:22]=3)=[CH:14][CH:13]=2)=[O:8])=[CH:5][CH:4]=1.CO.[BH4-].[Na+]>O>[F:2][C:3]1[CH:25]=[CH:24][C:6]([CH:7]([OH:8])[CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH:14]=[C:15]([C:18]3[S:19][CH:20... | 1 |
ClC1=C(C(=CC=C1)[N+](=O)[O-])SC=1N(C=C(N1)[N+](=O)[O-])C[C@@](CN1CCN(CC1)C(=O)OCC=CC1=CC=C(C=C1)C(F)(F)F)(C)O>N(C)(C)C=O.CC(C)(C)[O-].[Na+]>C[C@@]1(CN2C(O1)=NC(=C2)[N+](=O)[O-])CN2CCN(CC2)C(=O)OCC=CC2=CC=C(C=C2)C(F)(F)F | 3 |
C[S-].[Na+].ClC1=NC=C(C(=N1)Cl)CC>>ClC1=NC=CC(=N1)SC | 5 |
Cl.[C:2]([CH2:4][C@@H:5]1[CH2:13][C@@H:12]2[C@@H:8]([CH2:9][NH:10][CH2:11]2)[C@@:7]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][C:16]=2[O:21][CH3:22])([OH:14])[CH2:6]1)#[N:3].ClCCl.[CH2:26]([O:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=1[CH2:40][C:41](O)=[O:42])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.CN(C)CCCN=C=N... | 1 |
[CH2:1]([C:13]12[S:20][C:14]1([OH:19])[CH:15]=[CH:16][CH:17]=[CH:18]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].[B:21]([OH:24])([OH:23])[OH:22].O>C1(C)C=CC=CC=1>[O:19]1[CH:15]([CH2:16][CH2:17][CH2:18][CH2:13][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10])[... | 1 |
C(CCCCC)(=O)Cl.OC(CC)C=1C=C2C(N(C(NC2=CC1C(F)(F)F)=O)NS(=O)(=O)C)=O>N(C)(C)C=O.[H-].[Na+]>C(CCCCC)(=O)N(S(=O)(=O)C)N1C(NC2=CC(=C(C=C2C1=O)C(CC)O)C(F)(F)F)=O | 3 |
[CH3:1][O:2][C:3](=[O:19])[CH:4]([O:16][CH2:17][CH3:18])[CH2:5][C:6]1[C:14]2[O:13][CH:12]=[CH:11][C:10]=2[C:9]([OH:15])=[CH:8][CH:7]=1.Cl[CH2:21][C:22]1[N:23]=[C:24]([C:28]2[S:29][CH:30]=[CH:31][CH:32]=2)[O:25][C:26]=1[CH3:27].S1C=CC=C1C=O.O=P(Cl)(Cl)Cl.C(=O)([O-])[O-].[K+].[K+].[I-].[K+]>>[CH3:1][O:2][C:3](=[O:19])[CH... | 1 |
[C:1]([C:3]1[CH:4]=[C:5]([CH2:9][N:10]2[C:15]([OH:16])=[C:14]([C:17]([NH:19][CH2:20][C:21]([O:23]CC)=[O:22])=[O:18])[C:13](=[O:26])[N:12]([CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[C:11]2=[O:34])[CH:6]=[CH:7][CH:8]=1)#[N:2].[OH-].[Na+]>CO>[C:1]([C:3]1[CH:4]=[C:5]([CH2:9][N:10]2[C:15]([OH:16])=[C:14]([C:17]... | 2 |
[CH2:1]([O:3][C:4](=[O:30])[CH2:5][C:6]1[N:7]2[CH:29]=[CH:28][CH:27]=[CH:26][C:8]2=[C:9]2[C:14]=1[CH2:13][CH2:12][CH:11]([NH:15][S:16]([C:19]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=1)(=[O:18])=[O:17])[CH2:10]2)[CH3:2].I[CH3:32]>>[CH2:1]([O:3][C:4](=[O:30])[CH2:5][C:6]1[N:7]2[CH:29]=[CH:28][CH:27]=[CH:26][C:8]2=[C... | 2 |
[CH:1]1([NH:7][C:8]2[N:9]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[N:10]=[C:11]3[C:16]=2[CH:15]=[CH:14][CH:13]=[CH:12]3)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[CH3:23][O:24][C:25](=[O:36])[C:26]1[CH:31]=[CH:30][C:29]([N:32]=[C:33]=[O:34])=[C:28]([CH3:35])[CH:27]=1>C1(C)C=CC=CC=1>[CH3:23][O:24][C:25](=[O:36])[C:26]... | 1 |
N#CN.C1(=C(C=CC=C1)C(CO)=O)C1=CC=CC=C1>>C1(=C(C=CC=C1)C1=CN=C(O1)N)C1=CC=CC=C1 | 5 |
N(=[N+]=[N-])CCCOC=1C=C2C3=C(N(C(C2=CC1OC)=O)CCCN1CCOCC1)C=1C=C2C(=CC1C3=O)OCO2>C1=CC=CC=C1.P(OCC)(OCC)OCC>NCCCOC=1C=C2C3=C(N(C(C2=CC1OC)=O)CCCN1CCOCC1)C=1C=C2C(=CC1C3=O)OCO2 | 3 |
ClC1=NC=C(C=C1F)C(F)(F)F>[F-].[K+].C1COCCOCCOCCOCCOCCO1.[F-].[Cs+].S1(=O)(=O)CCCC1>FC1=NC=C(C=C1F)C(F)(F)F | 3 |
O=C1NC(CCC1C1=NN(C2=C(C(=CC=C12)N1CCC(CC1)CN1CCC2(CCN(CC2)C(=O)OC(C)(C)C)CC1)F)C)=O>ClCCl.C(=O)(C(F)(F)F)O>C1CN(CCC12CCNCC2)CC2CCN(CC2)C2=CC=C1C(=NN(C1=C2F)C)C2C(NC(CC2)=O)=O | 3 |
FC1=CC=C(C=C1)C1(CCC1)C1=NCCC2=CC=C(C=C12)OCCNC(OC(C)(C)C)=O>>FC1=CC=C(C=C1)C1(CCC1)C1=NCCC2=CC=C(C=C12)OCCN | 5 |
C(C)(C)(C)OC(=O)N1[C@H](C[C@H](C1)N=[N+]=[N-])CO>>C(C)(C)(C)OC(=O)N1[C@H](C[C@H](C1)N)CO | 5 |
Cl.N1=CC(=CC=C1)CCl.NC1=CC=C(C=C1)S>>N1=CC(=CC=C1)CSC1=CC=C(N)C=C1 | 5 |
[C:1]1([C:7]2[NH:11][CH:10]=[C:9]([CH:12]=O)[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:14][NH2:15].[BH4-].[Na+].[OH2:18].[CH3:19][OH:20]>[Cl-].[Na+].O>[CH3:14][N:15]([CH2:12][C:9]1[CH:8]=[C:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[NH:11][CH:10]=1)[C:19](=[O:20])[O:18][C:1]([CH3:7])([CH3:6])[CH3:2] | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][C@H:9]1[CH:13]([S:23][CH3:24])[CH:14]([C:16]([O:18]C(C)(C)C)=[O:17])[CH3:15])=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.C(OCC)(=O)C>>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][C@H:9]1[C@H:13]([S:23][CH3:24])[C@H:14]([C:16]([OH:18])=[O:17])[CH3:15])=[O:7])([CH3:4])([CH3:2])[... | 2 |
Cl.[O:2]=[C:3]1[N:7]([C:8]2[CH:17]=[CH:16][C:11]([C:12]([O:14][CH3:15])=[O:13])=[CH:10][CH:9]=2)[CH2:6][C:5]2([CH2:22][CH2:21][NH:20][CH2:19][CH2:18]2)[O:4]1.[Cl:23][C:24]1[CH:29]=[C:28]([CH:30]=O)[CH:27]=[C:26]([Cl:32])[C:25]=1[C:33]1[CH:38]=[CH:37][C:36]([F:39])=[CH:35][CH:34]=1.C(O)(=O)C.C([BH3-])#N>ClCCCl.CO>[Cl:23... | 1 |
C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.CC(OC(/N=N/C(OC(C)C)=O)=O)C.[C:34]1([CH2:40][CH2:41][CH2:42]O)[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1.[C:44]1(=[O:50])[NH:48][C:47](=[O:49])[CH:46]=[CH:45]1>>[C:34]1([CH2:40][CH2:41][CH2:42][N:48]2[C:44](=[O:50])[CH:45]=[CH:46][C:47]2=[O:49])[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=1 | 1 |
C(C)(C)(C)OC(NCCC(C1=CC(=CC=C1)Cl)N)=O.ClC1=C(C=C(C(=O)O)C=C1)NC(=O)C1=CC2=C(N=C(N=C2)OC)NC1=O>>C(C)(C)(C)OC(NCCC(C1=CC(=CC=C1)Cl)NC(C1=CC(=C(C=C1)Cl)NC(=O)C1=CC2=C(N=C(N=C2)OC)NC1=O)=O)=O | 5 |
N1=CC(=CC=C1)/C(=C/C(=O)OCC)/C>>N1=CC(=CC=C1)C(CC(=O)OCC)C | 5 |
[F:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[N:9]([CH3:11])[C:8](=[O:12])[C:7]2=O>O.NN>[F:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[N:9]([CH3:11])[C:8](=[O:12])[CH2:7]2 | 1 |
OC=1C=C(C=O)C=CC1.CC1(OC(=O)CC(=O)O1)C>O>OC=1C=C(C=CC1)C=C1C(OC(OC1=O)(C)C)=O | 3 |
[CH3:1][O:2][CH2:3][NH:4][C:5]([C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[N:13]=[CH:12][N:11]=[C:10]2Cl)=[O:6].[Cl:18][C:19]1[CH:20]=[C:21]([CH:23]=[CH:24][C:25]=1[O:26][CH2:27][C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][N:29]=1)[NH2:22]>O1CCCC1>[CH3:1][O:2][CH2:3][NH:4][C:5]([C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[N:... | 1 |
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