Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
ClC1=NC(=C(C(=N1)N[C@H](C(=O)OC)CCC(=O)OC)[N+](=O)[O-])C>O.[Fe].C(C)(C)O.C(C)(=O)O.C(O)([O-])=O.[Na+]>ClC1=NC=2N[C@H](C(NC2C(=N1)C)=O)CCC(=O)OC
3
P(OC(C(CBr)(C)C)(Br)Br)(OC(C(CBr)(C)C)(Br)Br)(=O)Cl>O.C1=CC=CC=C1>P(=O)(OC(C(CBr)(C)C)(Br)Br)(OC(C(CBr)(C)C)(Br)Br)O
3
BrC1=C2C=C(C=NC2=CC=C1)OC>c1ccncc1.COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC=1C=NC2=CC=CC(=C2C1)C=C
3
C(C)(C)C1=C(C(=CC=C1)C(C)C)O.[N+](=O)([O-])C=1C=C(C(C#N)=CC1)C#N>>C(C)(C)C1=C(OC=2C=C(C(C#N)=CC2)C#N)C(=CC=C1)C(C)C
5
[CH:1]([N:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[CH:12][C:7]=2[NH:6][S:5]1(=[O:14])=[O:13])([CH3:3])[CH3:2].[Cl:15][CH2:16][CH2:17][C@@H:18]([C:20]1[CH:25]=[C:24]([F:26])[CH:23]=[C:22]([Cl:27])[CH:21]=1)O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>O1CCCC1>[Cl:15][CH2:16][CH2:17][C@@H:18]([N:6]1[C:7]2[C...
1
OCCN1CCNCC1.CC1(CC=C(CC1)C1=C(C=CC(=C1)C(C)(C)O)NC(=O)C=1NC=C(N1)C#N)C>>CC1(CC=C(CC1)C1=C(C=CC(=C1)C(C)(C)N1CCN(CC1)CCO)NC(=O)C=1NC=C(N1)C#N)C
5
CN(C)[C:3](=[O:22])[CH2:4][CH2:5][C:6]12[C:21]3[N:10]([C:11]4[C:16]([C:17]=3[CH2:18][CH2:19][O:20]1)=[CH:15][CH:14]=[CH:13][CH:12]=4)[CH2:9][CH2:8][CH2:7]2.[OH-:24].[K+]>>[CH2:9]1[N:10]2[C:21]3[C:6]([CH2:5][CH2:4][C:3]([OH:22])=[O:24])([O:20][CH2:19][CH2:18][C:17]=3[C:16]3[C:11]2=[CH:12][CH:13]=[CH:14][CH:15]=3)[CH2:7]...
1
FC1(CCC(CC1)CC1=C(N=C2N1C=C(C(=C2)C(=O)OC)OC)C(F)(F)F)F>O.C1CCCO1>FC1(CCC(CC1)CC1=C(N=C2N1C=C(C(=C2)C(=O)O)OC)C(F)(F)F)F
3
[C:1]([C:5]1[CH:6]=[C:7]([CH:18]=[C:19]([C:22]([CH3:25])([CH3:24])[CH3:23])[C:20]=1[OH:21])[C:8]([NH:10][C:11]1([C:14]([O:16]C)=[O:15])[CH2:13][CH2:12]1)=[O:9])([CH3:4])([CH3:3])[CH3:2].O[Li].O.O>C1COCC1>[C:22]([C:19]1[CH:18]=[C:7]([CH:6]=[C:5]([C:1]([CH3:4])([CH3:3])[CH3:2])[C:20]=1[OH:21])[C:8]([NH:10][C:11]1([C:14](...
2
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:43]#[N:44])=[C:6]([C:8]2[C:13]([O:14][CH3:15])=[CH:12][N:11]([CH:16]([CH2:38][CH2:39][O:40][CH3:41])[C:17]([NH:19][C:20]3[CH:28]=[C:27]4[C:23]([C:24](=[O:37])[N:25]([CH3:36])[N:26]4C(OC(C)(C)C)=O)=[CH:22][CH:21]=3)=[O:18])[C:10](=[O:42])[CH:9]=2)[CH:7]=1.C(O)(C(F)(F)F)=O>>[Cl:1][C:2]1[...
1
NC1=C(C=CC=C1)S.BrC1=C2C=3C(C4=C(C=C5C(N(C(C=6C=C(C(=C4C56)C3C=C1)OC1=CC=C(C=C1)C(C)(C)C)=O)C1=C(C=CC=C1C(C)C)C(C)C)=O)OC1=CC=C(C=C1)C(C)(C)C)=CC=C2>C([O-])([O-])=O.[K+].[K+].CN1C(CCC1)=O>NC1=C(C=CC=C1)SC1=C2C=3C(C4=C(C=C5C(N(C(C=6C=C(C(=C4C56)C3C=C1)OC1=CC=C(C=C1)C(C)(C)C)=O)C1=C(C=CC=C1C(C)C)C(C)C)=O)OC1=CC=C(C=C1)C(...
3
C(C=C)(=O)Cl.C(CC=C)NC1=CC=C(C=C1)OCC(F)(F)F>ClCCl.CCN(CC)CC>C(CC=C)N(C(C=C)=O)C1=CC=C(C=C1)OCC(F)(F)F
3
CC1(OCC(O1)COC=1C=CC(=C(C1)C(=O)C1=C(C=C(C=C1)NC1=C(C=C(C=C1)F)C)[N+](=O)[O-])C)C>C1CCCO1.Cl>OC(COC=1C=CC(=C(C1)C(=O)C1=C(C=C(C=C1)NC1=C(C=C(C=C1)F)C)[N+](=O)[O-])C)CO
3
N1=CN=CC(=C1)C=CC(=O)OCC>CCO[H].[HH].[Pd]>N1=CN=CC(=C1)CCC(=O)OCC
3
C(C)C=1C=CC=C2C=NNC12>>C(C)C=1C=CC=C2C(=NNC12)I
5
[CH2:1]([NH:3][C:4](=[O:36])[NH:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[N:13]=[C:14]([N:29]3[CH2:34][CH2:33][O:32][CH2:31][C@@H:30]3[CH3:35])[C:15]3C[CH2:20][N:19]([C:22]([O:24][C:25](C)(C)[CH3:26])=[O:23])[CH2:18][C:16]=3[N:17]=2)=[CH:8][CH:7]=1)[CH3:2].ClC1N=C(N2CCOC[C@@H]2C)C2CN(C(OCC)=O)CC=2N=1.[F:59]CCNC(NC1C=CC(B2OC...
1
[NH2:1][C:2]1[N:7]=[CH:6][C:5]([N+:8]([O-])=O)=[CH:4][N:3]=1.Br[C:12]1[CH:27]=[CH:26][C:15]([C:16]([NH:18][CH2:19][CH2:20][N:21]2[CH2:25][CH2:24][CH2:23][CH2:22]2)=[O:17])=[CH:14][CH:13]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(...
2
C1(=CCCC1)C=1C=NN2C1CN(CC2)C(=O)OC(C)(C)C>CO[H].[HH].[Pd]>C1(CCCC1)C=1C=NN2C1CN(CC2)C(=O)OC(C)(C)C
3
C(C)(C)(C)OC(=O)N1CCC(C(CC1)=O)CC(=O)O>>C(C)(C)(C)OC(=O)N1CCC2C(CC1)=NNC(C2)=O
5
C[O:2][C:3]1[CH:19]=[CH:18][C:6]2[N:7]=[C:8]([NH:10][C@@H:11]3[CH2:16][CH2:15][CH2:14][CH2:13][C@H:12]3[OH:17])[S:9][C:5]=2[CH:4]=1.B(Br)(Br)Br>C(Cl)Cl>[OH:17][C@@H:12]1[CH2:13][CH2:14][CH2:15][CH2:16][C@H:11]1[NH:10][C:8]1[S:9][C:5]2[CH:4]=[C:3]([OH:2])[CH:19]=[CH:18][C:6]=2[N:7]=1
1
C1=C(CCC2=CC=CC=C12)N1CCC1>CO[H].[HH].[Pt](=O)=O>C1C(CCC2=CC=CC=C12)N1CCC1
3
[F:1][C:2]([F:18])([F:17])[C:3]1[CH:4]=[C:5]([N:9]([CH2:13][C:14](Cl)=[CH2:15])[C:10]([NH2:12])=[S:11])[CH:6]=[CH:7][CH:8]=1.C1(C)C(C)=CC=CC=1.C(=O)([O-])O.[K+]>[Cl-].[Zn+2].[Cl-].O>[NH:12]=[C:10]1[N:9]([C:5]2[CH:6]=[CH:7][CH:8]=[C:3]([C:2]([F:18])([F:17])[F:1])[CH:4]=2)[CH2:13][C:14](=[CH2:15])[S:11]1
1
FC(C=1C=C(C(=O)C2=CC=C(S2)CC(=O)O)C=CC1)(F)F>CO[H].Cl>FC(C=1C=C(C(=O)C2=CC=C(S2)CC(=O)OC)C=CC1)(F)F
3
[Cl:1][C:2]1[C:3]([CH2:16][CH3:17])=[C:4]([C:11]([CH2:14][CH3:15])=[CH:12][CH:13]=1)[CH2:5][C:6]1[NH:7][CH2:8][CH2:9][N:10]=1.C1(N(Cl)C(=O)N(Cl)C(=O)N1Cl)=O.C1CCN2C(=NCCC2)CC1>>[Cl:1][C:2]1[C:3]([CH2:16][CH3:17])=[C:4]([C:11]([CH2:14][CH3:15])=[CH:12][CH:13]=1)[CH2:5][C:6]1[NH:10][CH:9]=[CH:8][N:7]=1
1
ClC1=NC=NC2=CC(=C(C=C12)OC)OCC.C(C)(C)(C)C1=CC(=NO1)NC(=O)NC1=CC(=CC=C1)S>C(C)(C)O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)C1=CC(=NO1)NC(=O)NC1=CC(=CC=C1)SC1=NC=NC2=CC(=C(C=C12)OC)OCC
3
[CH:1]1([CH2:5][C:6]2[N:7]=[C:8]([C:11]([NH:13][NH2:14])=[O:12])[S:9][CH:10]=2)[CH2:4][CH2:3][CH2:2]1.C1(CC2N=C(C(NNC(=O)CC(C)(C)C(OC)=O)=O)SC=2)CCC1.[CH3:39][O:40][C:41]([C@H:43]1[CH2:46][C@H:45]([C:47](O)=[O:48])[CH2:44]1)=[O:42].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>C(#N)C.O>[CH:1]1([CH2:5][C:6]2[N:...
2
ClC1=C(C=NNC(=N)N)C(=CC=C1[N+](=O)[O-])Cl>Cl.C(C)(=O)O.O.O.[Sn](Cl)Cl>Cl.Cl.NC=1C(=C(C=NNC(=N)N)C(=CC1)Cl)Cl
3
C(C1=CC=CC=C1)SC=1C(=CC(=C(C1)/C=C/C(=O)OCC)NC1=C(C=C(C(=C1)Cl)Br)OC)F>CO[H].C[O-].[Na+]>C(C1=CC=CC=C1)SC=1C=C2C=CC(N(C2=CC1F)C1=C(C=C(C(=C1)Cl)Br)OC)=O
3
CB(O)O.C(C)(C)(C)NC(=O)C1CCN(CC1)CC1=CC(=CC(=C1)[N+](=O)[O-])Br>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>C(C)(C)(C)NC(=O)C1CCN(CC1)CC1=CC(=CC(=C1)[N+](=O)[O-])C
3
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][CH:10]=[C:11]([CH2:13][CH2:14][NH2:15])[N:12]=2)=[CH:4][CH:3]=1.[F:16][C:17]([F:33])([F:32])[C:18]1[O:22][N:21]=[C:20]([C:23]2[CH:24]=[C:25]([CH:29]=[CH:30][CH:31]=2)[C:26](O)=[O:27])[N:19]=1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:9][CH:10]=[C:11]([CH2:13][CH2:14][NH:15][C:2...
1
FC1=C(C=C(C=C1)B(O)O)C.BrC=1N=CNC1>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.COCCOC.O.CCO>FC1=C(C=C(C=C1)C=1N=CNC1)C
3
C(#N)C(C)(C)C=1C=C(C(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-])C=CN1>CO[H].[Pd].O.NN>NC=1C=C(C=CC1C)NC(C1=CC(=NC=C1)C(C)(C)C#N)=O
3
C(C)N1C(=NN=C1C1=CC=NC=C1)C=O.Br.ClC=1C=C(C=CC1)N1N=C(N=N1)CP(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>ClC=1C=C(C=CC1)N1N=C(N=N1)C=CC=1N(C(=NN1)C1=CC=NC=C1)CC
5
[NH:1]([C:3]1[CH:21]=[CH:20][C:6]([C:7]([NH:9][C:10]2[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:12][CH:11]=2)=[O:8])=[CH:5][N:4]=1)[NH2:2].[C:22]([NH:25][CH:26]([C:32](=O)[CH3:33])[C:27](OCC)=[O:28])(=[O:24])[CH3:23]>C(O)C>[C:22]([NH:25][C:26]1[C:27](=[O:28])[N:1]([C:3]2[CH:21]=[CH:20][C:6]([C:7]([NH:9][C:...
1
[H-].[Na+].[N:3]1([C:8]2[CH:9]=[C:10]([C:18]3[S:22][C:21]([NH2:23])=[N:20][C:19]=3[CH3:24])[CH:11]=[CH:12][C:13]=2[S:14]([CH3:17])(=[O:16])=[O:15])[CH:7]=[CH:6][N:5]=[CH:4]1.[C:25](N1C=CN=C1)([N:27]1[CH:31]=[CH:30][N:29]=[CH:28]1)=[O:26]>CN(C)C=O>[N:3]1([C:8]2[CH:9]=[C:10]([C:18]3[S:22][C:21]([NH:23][C:25]([N:27]4[CH:3...
1
[N+](=O)([O-])C=1N=CNC1.BrC1=CC(=NC=C1)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[K+]>CC1=NC=CC(=C1)N1C=NC(=C1)[N+](=O)[O-]
3
C1(CN2CCC(N(CC)C(=O)[CH2:16][C:17]3[CH:22]=[CH:21][C:20]([S:23]([CH3:26])(=[O:25])=[O:24])=[CH:19][CH:18]=3)CC2)C=CC=CC=1.[CH:30]([O-:32])=O.[NH4+:33]>C(O)C>[CH3:26][S:23]([C:20]1[CH:19]=[CH:18][C:17]([CH2:16][N:33]=[C:30]=[O:32])=[CH:22][CH:21]=1)(=[O:24])=[O:25]
2
CC(C(=O)Cl)C.NC(CCC1CC1)(C=1C=NC=CC1)C=1C=CC(=C(C1)NC(=O)C1=CC(=NN1C=1C=C(CNC(OC(C)(C)C)=O)C=CC1)C(F)(F)F)F>C1CCCO1.C1(=CC=NC=C1)N(C)C.c1ccncc1>C1(CC1)CCC(C=1C=NC=CC1)(NC(CC)=O)C=1C=CC(=C(C1)NC(=O)C1=CC(=NN1C=1C=C(CNC(OC(C)(C)C)=O)C=CC1)C(F)(F)F)F
3
FC1=CC=CC=2C3=C(N(C12)C)CCN(C3=O)CC=3N=CN(C3C)CCOC.FC1=CC=CC=2C3=C(N(C12)C)CCN(C3=O)CC3=C(N=CN3COC)C>[OH-].[Na+].Br>FC1=CC=CC=2C3=C(N(C12)C)CCN(C3=O)CC=3N=CNC3C
3
C(C1=CC=CC=C1)NCCO.ClC=1C=C(C=NC1NNC(=S)NC1C2=C(CCC3=C1C=CC=C3)C=CC=C2)C(=O)O>>ClC=1C=C(C=NC1NNC(=S)NC1C2=C(CCC3=C1C=CC=C3)C=CC=C2)C(=O)N(CC2=CC=CC=C2)CCO
5
[N:1]1([C:7](=O)[CH2:8][C@@H:9]([NH2:18])[CH2:10][S:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.B.CO>C1COCC1>[N:1]1([CH2:7][CH2:8][C@@H:9]([NH2:18])[CH2:10][S:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1
1
CS(=O)(=O)Cl.C(C)OC1=C(C(=C(C=C1)C1=CC=C(C=C1)CCCO)F)F>ClCCl.CCN(CC)CC>CS(=O)(=O)OCCCC1=CC=C(C=C1)C1=C(C(=C(C=C1)OCC)F)F
3
[CH2:1]([NH:8][C:9]([NH:11][C:12]1[CH:13]=[N:14][N:15]([CH2:17][C:18]2[C:19]([CH3:24])=[N:20][O:21][C:22]=2[CH3:23])[CH:16]=1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:25](=[O:30])=[N:26][C:27](Cl)=[O:28]>C1COCC1>[CH2:1]([N:8]1[C:27](=[O:28])[NH:26][C:25](=[O:30])[N:11]([C:12]2[CH:13]=[N:14][N:15]([CH2:17][C:...
1
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3([C:13]([OH:15])=O)[CH2:12][CH2:11]3)=[CH:9][C:4]=2[O:3][CH2:2]1.[CH:16]([C:19]1[N:24]=[CH:23][C:22]([NH2:25])=[CH:21][CH:20]=1)([CH3:18])[CH3:17].C(N(CC)CC)C.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1>CN(C)C=O>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]3([C:13]([NH:25][C:2...
1
C(C)(=O)O.C(=N)N.NC=1C(=CC(=NC1)N[C@@H](CO)C1=CC=C(C=C1)F)NC1=NNC(=C1)C1CC1>CCO[H]>C1(CC1)C1=CC(=NN1)N1C=NC=2C=NC(=CC21)N[C@@H](CO)C2=CC=C(C=C2)F
3
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC1C2=C(C=CC3=NC=C(C=C31)Cl)C=NC(=C2)C(C)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC=1C=C2C(=NC1)C=CC1=C(C2O)C=C(N=C1)C(C)F
3
C1(=CC=C(C=C1)S(=O)(=O)Cl)C.OCCCCCCCCC(=O)N(C)C1=CC=C2C(=N1)NC(=C2)C=2N=C1N(C(=CC(=C1)C(=O)OC)OC)C2C>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>COC1=CC(=CC=2N1C(=C(N2)C2=CC=1C(=NC(=CC1)N(C(CCCCCCCCOS(=O)(=O)C1=CC=C(C)C=C1)=O)C)N2)C)C(=O)OC
3
Br[C:2]1[CH:7]=[C:6]([Cl:8])[N:5]=[C:4]2[NH:9][CH:10]=[CH:11][C:3]=12.[CH2:12]([N:14]1[CH:18]=[C:17](B2OC(C)(C)C(C)(C)O2)[C:16]([C:28]2[CH:33]=[CH:32][C:31]([N+:34]([O-:36])=[O:35])=[CH:30][CH:29]=2)=[N:15]1)[CH3:13]>>[Cl:8][C:6]1[N:5]=[C:4]2[NH:9][CH:10]=[CH:11][C:3]2=[C:2]([C:17]2[C:16]([C:28]3[CH:33]=[CH:32][C:31]([...
1
C(C1=CC=CC=C1)N1CC2=NC(=C(N=C2CC1)NC(C)C)Cl.Cl.FC1=C(C=CC=C1)S(=O)(=O)C1CCNCC1>C1(=CC=CC=C1)C.[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...
3
Cl.C(C)N.ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)C3=CC(=CC=C3)C=O)C(=NN2)C)CC(=O)NCC>ClCCl.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC1=CC=C(C=C1)C1=N[C@H](C=2N(C3=C1C=C(C=C3)C3=CC(=CC=C3)CNCC)C(=NN2)C)CC(=O)NCC
3
[F:1][C:2]1[CH:19]=[C:18]([N+:20]([O-:22])=[O:21])[CH:17]=[CH:16][C:3]=1[CH2:4][N:5]1C(=O)C2C(=CC=CC=2)C1=O.O.NN.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>O1CCCC1.C(OCC)(=O)C>[F:1][C:2]1[CH:19]=[C:18]([N+:20]([O-:22])=[O:21])[CH:17]=[CH:16][C:3]=1[CH2:4][NH2:5]
1
[Cl:1][C:2]1[C:3]([S:8]Cl)=[N:4][CH:5]=[CH:6][N:7]=1.C[Si]([C:14]#[N:15])(C)C>C(#N)C>[Cl:1][C:2]1[C:3]([S:8][C:14]#[N:15])=[N:4][CH:5]=[CH:6][N:7]=1
1
C(C1=CC=CC=C1)SC1=C(C2=C(N=C(N(C2=O)CC2=CC=C(C=C2)OC)C)C=N1)C#N>O.ClCCl.S(=O)(=O)(Cl)Cl>C(#N)C1=C(N=CC=2N=C(N(C(C21)=O)CC2=CC=C(C=C2)OC)C)S(=O)(=O)Cl
3
[CH3:1][C:2]1(C)[CH2:7][CH2:6]CC(C)(C)N1.[Li][CH2:12]CCC.CN([CH2:19][CH2:20][N:21]([CH3:23])[CH3:22])C.N([C:31]1[N:32]([C:46]2[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=2)[C:33]2[C:38]([C:39](=[O:41])[CH:40]=1)=[C:37]([CH3:42])[CH:36]=[C:35]([O:43][CH2:44][CH3:45])[N:34]=2)C1C=CC=CC=1.[NH4+].[Cl-]>C1COCC1.CCOC(C)=O>[CH2:44]...
1
CN1[C@@H]2C[C@@H](O[C:11]([CH:13]([C:16]3C=CC=C[CH:21]=3)[CH2:14]O)=O)C[C@H]1CC2.OS(O)(=O)=O.[CH3:27][CH2:28][CH2:29]C(C1(CC)C(=O)N=C([S-])NC1=O)C.[Na+].N#[N+][O-].O=O.[CH:49](Cl)([O:54]C(F)F)[C:50](F)(F)F>>[CH3:11][C@H:13]1[CH2:14][C@@H:49]([OH:54])[C@H:50]([CH:28]([CH3:29])[CH3:27])[CH2:21][CH2:16]1
1
N1N=CN=C1.ClC1=CC=C(C=C1)C1(OC1)C1(CC1)C1=NC=CC=C1>>ClC1=CC=C(C=C1)C(CN1N=CN=C1)(O)C1(CC1)C1=NC=CC=C1
5
ClC=1C=CC(=C(C1)S(=O)(=O)NCC=1OC(=CC1)C1=NC(=C2C(=N1)N(N=C2C)C2OCCCC2)OC2CCN(CC2)C(C)C)F>CO[H].Cl>FC(C=O)(F)F.ClC=1C=CC(=C(C1)S(=O)(=O)NCC=1OC(=CC1)C1=NC(=C2C(=N1)NN=C2C)OC2CCN(CC2)C(C)C)F
3
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[C:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])=[C:9]([CH:16]=O)[S:8][C:7]=2[CH:18]=1.[C:19]([CH:23]=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)([O:21][CH3:22])=[O:20].CCCCCC>ClCCl>[CH3:22][O:21][C:19](=[O:20])/[CH:23]=[CH:16]/[C:9]1[S:8][C:7]2[CH:18]=[C:3]([O:2][CH3:1])[CH:4]=[CH:5][C...
1
CC1=C(C=CC=C1)C1=NOC(=N1)C=1C=NN2C1NC(C=C2C2CCN(CC2)C(=O)OC(C)(C)C)=O>CO[H].Cl.O1CCOCC1>Cl.CC1=C(C=CC=C1)C1=NOC(=N1)C=1C=NN2C1NC(C=C2C2CCNCC2)=O
3
CS(=O)(=O)Cl.[N+]1(=CNC2=C1C=CC=N2)[O-]>N(C)(C)C=O>ClC1=C2C(=NC=C1)NC=N2
3
[N+](=O)([O-])/C(=C/CCCNC(OC(C)(C)C)=O)/C>O.C(C)(=O)OCC.CS(=O)C.[N-]=[N+]=[N-].[Na+]>CC=1N=NNC1CCCNC(OC(C)(C)C)=O
3
C(C)(C)O.[N+](=O)([O-])C1=CC=C(C=C1)C1CCC(CC1)C=O>S(=O)(=O)(O[O-])[O-].[K+].[K+]>C(C)(C)OC(=O)[C@@H]1CC[C@@H](CC1)C1=CC=C(C=C1)[N+](=O)[O-]
3
ClS(=O)(=O)N=C=O.C(C)C1C=2N(C3=CC(=C(C=C3N1S(=O)(=O)C1=CC(=C(C=C1)OC)C)F)F)C=CC2>>C(C)C1C=2N(C3=CC(=C(C=C3N1S(=O)(=O)C1=CC(=C(C=C1)OC)C)F)F)C(=CC2)C#N
5
C(C)(=O)O[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1OC(C)=O)OC(C)=O)COC(C)=O)Br.C(C)(=O)NC1=CC=C(C(N1)=O)CC1=CC=C(C=C1)CC>ClCCl.C([O-])([O-])=O.[Ag+2]>C(C)(=O)NC1=CC=C(C(=N1)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O1)COC(C)=O)CC1=CC=C(C=C1)CC
3
C(C)(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)[N+](=O)[O-]>CCO[H].[HH].[Pd]>NC1=CC2=C(CCN(CC2)C(=O)OC(C)(C)C)C=C1
3
FC1=C(CN2N=C(C=3C2=NC(=CC3)C)I)C=CC=C1F>>FC1=C(CN2N=C(C=3C2=NC(=CC3)C)C#N)C=CC=C1F
5
N1CCC(C(=O)O)CC1.C(C1=CC=CC=C1)(C1=CC=CC=C1)N1CC(C1)=O.C(#N)[BH3-].C[NH+](C)C>>C1(=CC=CC=C1)C(N1CC(C1)N1CCC(CC1)C(=O)O)C1=CC=CC=C1
5
COC=1C=C(C=CC1)N1CCN(CC1)C(=O)OC(C)(C)C>>BrC1=C(C=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)OC
5
C(CC1=CC=CC=C1)O>CS(=O)C.C[Si](C)(C)Cl>ClCCC1=CC=CC=C1
3
BrC=1N=C(C(=NC1)N)O[C@H](C)C1=CC=CC=C1>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+]>C1(=CC=CC=C1)[C@@H](C)OC=1C(=NC=C(N1)B1OC(C(O1)(C)C)(C)C)N
3
[C-]#N.[Na+].BrC=1C=CC(=C(CCl)C1)OCOC>O.ClCCl.CS(=O)C>BrC=1C=CC(=C(CC#N)C1)OCOC
3
[CH3:1][N:2]1[C:6]([NH2:7])=[CH:5][C:4]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=2)=[N:3]1.[Cl:14][C:15]1[CH:22]=[CH:21][C:18]([CH:19]=O)=[C:17]([CH3:23])[CH:16]=1.[C:24](O)(=[O:27])[CH2:25][SH:26]>C(#N)C>[Cl:14][C:15]1[CH:22]=[CH:21][C:18]([CH:19]2[S:26][CH2:25][C:24](=[O:27])[NH:7][C:6]3[N:2]([CH3:1])[N:3]=[C:4]([C:...
1
BrC(C(=O)OC(C)(C)C)C.COC=1N=C2C(=NC1OC)SC(=C2)C(CC(=O)OC(C)(C)C)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>COC=1N=C2C(=NC1OC)SC(=C2)C(=O)C(C(=O)OC(C)(C)C)C(C(=O)OC(C)(C)C)C
3
[F:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:20]3[CH:30]=[CH:29][C:23]4[N:24]=[C:25]([CH:27]=[CH2:28])[O:26][C:22]=4[CH:21]=3)=[CH:7][N:8]2S(C2C=CC=CC=2)(=O)=O)=[CH:4][CH:3]=1.[CH3:31][C@@H:32]1[CH2:37][NH:36][CH2:35][C@@H:34]([CH3:38])[NH:33]1.[OH-].[Na+]>CO>[CH3:31][C@H:32]1[NH:33][C@H:34]([CH3:38])[CH2:35][N:36]([CH2:28]...
2
[Cl:1][C:2]1[CH:3]=[C:4]([NH:10][C:11]2[N:16]=[C:15](Cl)[CH:14]=[C:13]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[N:12]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH3:9].C(N(CC)CC)C.[C:31]1([C:37]#[CH:38])[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>CN(C)C=O.O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)...
1
[Cl-:1].[Al+3].[Cl-].[Cl-].[H-].[Al+3].[Li+].[H-].[H-].[H-].[C:11]([CH:13]([C:19]1[C:28]2[C:23](=[CH:24][CH:25]=[C:26]([O:29][CH3:30])[CH:27]=2)[CH:22]=[CH:21][CH:20]=1)[CH2:14][C:15](OC)=[O:16])#[N:12].[OH-].[Na+]>CCOCC>[ClH:1].[NH2:12][CH2:11][CH:13]([C:19]1[C:28]2[C:23](=[CH:24][CH:25]=[C:26]([O:29][CH3:30])[CH:27]=...
2
FC1=C(C(=C(C=C1OC)F)[N+](=O)[O-])NC1=C(C=C(C=C1)I)F>CCO[H].S(=O)([O-])S(=O)[O-].[Na+].[Na+]>FC1=C(C(=C(C(=C1)OC)F)NC1=C(C=C(C=C1)I)F)N
3
C(C1=CC=CC=C1)N1CC(C(CC1)(O)C1=CC=C(C=C1)Br)(C)C>>C(C1=CC=CC=C1)N1CC(C(=CC1)C1=CC=C(C=C1)Br)(C)C
5
CNC.O1CCCC1.COC1=C(C=C(C=C1)C(=O)O)B(O)O.O.O.ON1N=NC2=C1C=CC=C2>N(C)(C)C=O.Cl.C(C)N=C=NCCCN(C)C>COC1=C(C=C(C=C1)C(N(C)C)=O)B(O)O
3
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12]([OH:15])=[CH:11][CH:10]=2)=[CH:5][CH:4]=1)#[N:2].N1C=CC=CC=1.[CH2:22]([O:25][C:26](Cl)=[O:27])[CH2:23][CH3:24]>C1C=CC=CC=1>[C:26](=[O:27])([O:25][CH2:22][CH2:23][CH3:24])[O:15][C:12]1[CH:13]=[CH:14][C:9]([C:6]2[CH:5]=[CH:4][C:3]([C:1]#[N:2])=[CH:8][CH:7]=2)=[CH...
1
C(C)OC(C(C1=CC=CC=C1)C#N)=O>C(C)OCC.[H-].[Al+3].[Li+].[H-].[H-].[H-]>OCC(CN)C1=CC=CC=C1
3
CI.FC=1C=C(C=CC1N1CCC(CC1)N1N=C(N=N1)N1CCNCC1)N1C(O[C@H](C1)CNC(C)=O)=O>C1CCCO1.[H-].[Na+]>FC=1C=C(C=CC1N1CCC(CC1)N1N=C(N=N1)N1CCN(CC1)C)N1C(O[C@H](C1)CNC(C)=O)=O
3
C([O:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([CH:12]([CH:32]2[CH2:36][CH2:35][CH2:34][CH2:33]2)[C:13]([NH:15][C:16]2[C:17]([CH3:31])=[C:18]([CH2:22][CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH:19]=[CH:20][CH:21]=2)=[O:14])=[CH:8][CH:7]=1)(=O)C>N.CO>[CH:32]1([CH:12]([C:9]2[CH:10]=[CH:11][C:6]([CH2:5][...
1
OC[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C:9]([CH3:19])=[CH:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15]([O:17][CH3:18])=[O:16].[OH-].[K+].ClC(O)C(O)C.C[O-].[Na+]>CO>[CH3:19][C:9]1[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:18][O:17][C:15](=[O:16])[CH2:14][CH2:13][CH2:12][CH2:11][CH:10]=1
1
C1(CCCCC1)CN.FC1=C(C=C(C=C1)NC(OC)=O)[N+](=O)[O-]>>COC(NC1=CC(=C(C=C1)NCC1CCCCC1)[N+](=O)[O-])=O
5
C(C)(=O)OC(=C)C.C(C)(=O)OC(CCC1C(CCC1)=O)CCCCC>CC(=O)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C)(=O)OC1=C(CCC1)CCC(CCCCC)OC(C)=O
3
Br[C:2]1[C:3](Cl)=NC(Cl)=N[CH:7]=1.[Br:10][C:11]1[C:12]([NH:18][CH:19](C(C)C)[CH2:20][NH:21][C:22](=[O:28])[O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[N:13][C:14]([Cl:17])=[N:15][CH:16]=1>>[Br:10][C:11]1[C:12]([NH:18][CH2:19][C@@H:20]([NH:21][C:22](=[O:28])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH:2]([CH3:3])[CH3:7])...
1
C(C1=CC=CC=C1)ON=CC(=O)O>CCO[H].Cl.[OH-].[Na+].B.C(C)N(CC)CC>C(C1=CC=CC=C1)ONCC(=O)O
3
FC(C1=CC=C(C(=N1)NCC(=O)OC)[N+](=O)[O-])(F)F>CCO[H].C(C)(=O)OCC.O.O.[Sn](Cl)Cl>FC(C=1C=CC2=C(NCC(N2)=O)N1)(F)F
3
C(C1=CC=CC=C1)Cl.CN1CC[C@]23C=4C5=CC=C(C4O[C@H]2C(=O)CC[C@H]3[C@H]1C5)O.Cl>N(C)(C)C=O.O.[H-].[Na+]>C(C1=CC=CC=C1)OC1=CC=C2C3=C1O[C@@H]1[C@]34CCN([C@@H]([C@@H]4CCC1=O)C2)C
3
[N:1]1([C:7](=[O:15])[CH2:8][N:9]2[CH2:14][CH2:13][NH:12][CH2:11][CH2:10]2)[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.C(=O)(O)[O-].[Na+].[C:21](Cl)([Cl:23])=[O:22]>ClCCl>[N:1]1([C:7](=[O:15])[CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:21]([Cl:23])=[O:22])[CH2:13][CH2:14]2)[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1
1
ClC1=C(C=C)C=CC=C1>O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(=O)(C(F)(F)F)O.CS(=O)C.[O]>ClC1=C(C=CC=C1)C(C)=O
3
CC(CC(C(=O)OC(C)(C)C)CC[C@@H]1C[C@@H](CCC1)OCC=1N=C(OC1C)C1=CC=C(C=C1)C)=C>>CC(CC(C(=O)O)CC[C@@H]1C[C@@H](CCC1)OCC=1N=C(OC1C)C1=CC=C(C=C1)C)C
5
[CH:1]1([NH2:4])[CH2:3][CH2:2]1.[Cl:5][C:6]1[CH:23]=[C:22]([Cl:24])[C:21]([F:25])=[CH:20][C:7]=1[C:8]([C:10](=[CH:16]OCC)[C:11]([O:13][CH2:14][CH3:15])=[O:12])=[O:9]>C(O)C>[Cl:5][C:6]1[CH:23]=[C:22]([Cl:24])[C:21]([F:25])=[CH:20][C:7]=1[C:8]([C:10](=[CH:16][NH:4][CH:1]1[CH2:3][CH2:2]1)[C:11]([O:13][CH2:14][CH3:15])=[O:...
1
Cl[C:2]1[N:18]=[C:5]2[C:6]([NH:10][CH2:11][C:12]3[CH:13]=[N:14][CH:15]=[CH:16][CH:17]=3)=[CH:7][CH:8]=[CH:9][N:4]2[N:3]=1.[N:19]1([CH2:24][CH2:25][O:26][C:27]2[CH:32]=[CH:31][C:30]([NH2:33])=[CH:29][CH:28]=2)[CH2:23][CH2:22][CH2:21][CH2:20]1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)CCCCC1>>[N:14]1[CH:15]...
1
C(C1SC(C2SC(NC(=O)C)=C(C)N=2)=CC=1)=O.[CH:18]([C:20]1[S:24][C:23]([C:25]2[S:29][C:28]([NH:30][C:31](=[O:33])[CH3:32])=[N:27][C:26]=2[CH3:34])=[CH:22][CH:21]=1)=O.Cl.[NH2:36][OH:37].N1C=CC=CC=1>C1COCC1.C(O)C>[OH:37][N:36]=[CH:18][C:20]1[S:24][C:23]([C:25]2[S:29][C:28]([NH:30][C:31](=[O:33])[CH3:32])=[N:27][C:26]=2[CH3:3...
1
C(C1=CC=CC=C1)N1C(=NC2=C(C1=O)C=CC=N2)CC(C)C>>NCCCN(C(C1=CC=C(C=C1)C)=O)C(C(C)C)C=1N(C(C2=C(N1)N=CC=C2)=O)CC2=CC=CC=C2.C(C1=CC=CC=C1)N1C(=NC2=C(C1=O)C=CC=N2)C(C(C)C)Br
5
NC1=NC2=C(N1C)C=CC=C2.O1CCC2=C1C=CC(=C2)C=2SC=C(N2)C(=O)O>>O1CCC2=C1C=CC(=C2)C=2SC=C(N2)C(=O)NC2=NC1=C(N2C)C=CC=C1
5
[C:1]1([C:7]2[CH:8]=[CH:9][C:10]([C:19]([O:21][CH2:22]C)=[O:20])=[N:11][C:12]=2[C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1>OS(O)(=O)=O.CO.O>[C:1]1([C:7]2[CH:8]=[CH:9][C:10]([C:19]([O:21][CH3:22])=[O:20])=[N:11][C:12]=2[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=2)[CH:2]=[CH:3][CH:...
1
FC1=C(C(=CC=C1)OC)[N+](=O)[O-].BrC=1NC=C(N1)C>>BrC=1N(C=C(N1)C)C1=C(C(=CC=C1)OC)[N+](=O)[O-]
5