Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
FC(F)(F)C(OC(=O)C(F)(F)F)=O.[CH3:14][S:15]([CH2:17][C:18](=[O:34])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=O.[I-].[Na+]>CC(C)=O>[CH3:14][S:15][CH2:17][C:18](=[O:34])[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][C...
1
BrCC(=O)OCC.FC=1C=CC(=C(C1)C1N(CCC1)C=1C=CC(=NC1)N)O[C@H]1COCC1>C1(=CC=CC=C1)C.COC(N(C)C)OC>C(C)OC(=O)C1=CN=C2N1C=C(C=C2)N2C(CCC2)C2=C(C=CC(=C2)F)O[C@H]2COCC2
3
[C-]#N.[Na+].ClCC1=CC=C(C=C1)CCCCl>CCO[H]>ClCCCC1=CC=C(CC#N)C=C1
3
C(C)(C)C1=NN(C=C1CCCO)C1=NC=C(C=C1)C(F)(F)F.OC1=NN(C=C1CCC(=O)OC)C>>C(C)(C)C1=NN(C=C1CCCOC1=NN(C=C1CCC(=O)O)C)C1=NC=C(C=C1)C(F)(F)F
5
[CH3:1][CH:2]([OH:7])[CH2:3][CH2:4][CH2:5][CH3:6].[ClH:8].[NH2:9][CH2:10][C:11](=[O:17])[CH2:12][CH2:13][C:14](O)=[O:15]>>[ClH:8].[NH2:9][CH2:10][C:11](=[O:17])[CH2:12][CH2:13][C:14]([O:7][CH:2]([CH3:1])[CH2:3][CH2:4][CH2:5][CH3:6])=[O:15]
1
[OH:1][C@H:2]([C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)[CH:3]1[CH2:7][CH2:6][CH:5]([CH2:8][C:9]2[CH:14]=[CH:13][C:12]([N+:15]([O-])=O)=[CH:11][CH:10]=2)[N:4]1[C:18]([O-:20])=[O:19]>C(O)C.[Pd]>[NH2:15][C:12]1[CH:13]=[CH:14][C:9]([CH2:8][C@@H:5]2[CH2:6][CH2:7][C@H:3]([C@H:2]([OH:1])[C:21]3[CH:26]=[CH:25][CH:24]=[CH...
2
FC=1C=C(C=CC1CC1CN(C1)CCC)C1OC2=CC(=CC=C2C(C1C1=CC=C(C=C1)OC1OCCCC1)(O)C)OC1OCCCC1>O.C(C)(=O)OCC.C(C)(=O)O.C(O)([O-])=O.[Na+]>FC=1C=C(C=CC1CC1CN(C1)CCC)C1OC2=CC(=CC=C2C(=C1C1=CC=C(C=C1)O)C)O
3
C(C1=CC=CC=C1)OCC(OCC(COC(COCC1=CC=CC=C1)COCC1=CC=CC=C1)O)COCC1=CC=CC=C1>>C(C1=CC=CC=C1)OCC(OCC(COC(COCC1=CC=CC=C1)COCC1=CC=CC=C1)OS(=O)(=O)C(F)(F)F)COCC1=CC=CC=C1
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC(CC(=O)O)C1=CC(=C(C=C1)OC)OC>[OH-].[Na+]>C(C)(C)(C)OC(=O)NC(CC(=O)O)C1=CC(=C(C=C1)OC)OC
3
C[O:2][C:3](=[O:43])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][CH:11]([C:25](=[O:42])[N:26]([C:33]2[O:41][C:37]3=[CH:38][CH:39]=[CH:40][C:36]3=[CH:35][CH:34]=2)[C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[CH2:12][C:13]2[CH:18]=[CH:17][C:16]([C:19]3[CH2:24][CH2:23][CH2:22][CH2:21][CH:20]=3)=[CH:15][CH:14]=2)=[CH:6][CH:5]=1.[O...
1
CC=1C=C2C(C(NC2=CC1)=O)=O>Cl.O.NN>CC=1C=C2CC(NC2=CC1)=O
3
C(C1=CC=CC=C1)(=O)O.O[C@@H]1CC[C@H](CC1)CC#N>>C(#N)C[C@@H]1CC[C@H](CC1)OC(C1=CC=CC=C1)=O
5
[N-]=[N+]=C.N(=O)NC(=O)N.C(C)(C)C1CCC(CC1)(C(=O)Cl)C>C(C)OCC>[N+](=[N-])=CC(=O)C1(CCC(CC1)C(C)C)C
3
[Cl:1][C:2]1[CH:3]=[C:4]([CH:17]=[CH:18][CH:19]=1)[CH2:5][NH:6][C:7]1[CH:12]=[C:11](F)[CH:10]=[CH:9][C:8]=1[N+:14]([O-:16])=[O:15].[N:20]1([C:26]([O:28][C:29]([CH3:32])([CH3:31])[CH3:30])=[O:27])[CH2:25][CH2:24][NH:23][CH2:22][CH2:21]1.C(N(CC)C(C)C)(C)C>C(#N)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH:17]=[CH:18][CH:19]=1)[CH2:5][N...
1
ClC=1C=C(CN2C(C3=C(C(N(C(=C3CC2)C(=O)N(C)C)C(C)C)=O)O)=O)C=CC1F>>FC1=CC=C(CN2C(C3=C(C(N(C(=C3CC2)C(=O)N(C)C)C(C)C)=O)O)=O)C=C1
5
[C:1]1([S:10]([NH:13][C:14](=[O:17])[CH2:15][NH2:16])(=[O:12])=[O:11])[S:2][CH:3]=[C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=12.[H-].[Na+].Cl[C:21]([O:23][CH3:24])=[O:22].O>CN(C)C=O>[C:1]1([S:10]([NH:13][C:14](=[O:17])[CH2:15][NH:16][C:21]([O:23][CH3:24])=[O:22])(=[O:11])=[O:12])[S:2][CH:3]=[C:4]2[CH:9]=[CH:8][CH:7]=[CH:6][...
1
[C-]#N.[Zn+2].[C-]#N.BrC=1C=CC2=C(N=C(O2)C2=CC(=C(C=C2)C2=NC=CC=C2)OC)C1>N(C)(C)C=O.C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>C(#N)C=1C=CC2=C(N=C(O2)C2=CC(=C(C=C2)C2=NC=CC=C2)OC)C1
3
[F:1][C:2]1[C:7]([OH:8])=[CH:6][N:5]=[C:4]2[NH:9][CH:10]=[CH:11][C:3]=12.[CH:12]([O-:14])=O.[NH4+:15].C[N:17]([CH:19]=O)[CH3:18]>[Pd]>[F:1][C:2]1[C:7]([O:8][C:18]2[C:4]3=[C:3]([CH3:2])[C:12]([OH:14])=[CH:6][N:5]3[N:15]=[CH:19][N:17]=2)=[CH:6][N:5]=[C:4]2[NH:9][CH:10]=[CH:11][C:3]=12
1
I.[CH3:2][N:3]1[C:7]([NH:8][C:9](=N)SC)=[CH:6][C:5]([CH3:13])=[N:4]1.[CH3:14][NH:15][CH2:16][CH2:17][NH2:18]>C(Cl)Cl>[CH3:14][N:15]1[CH2:16][CH2:17][N:18]=[C:9]1[NH:8][C:7]1[N:3]([CH3:2])[N:4]=[C:5]([CH3:13])[CH:6]=1
1
[CH3:1][O:2][C:3]1[CH:12]=[CH:11][C:6]2[C:7](=[O:10])[CH2:8][O:9][C:5]=2[C:4]=1[C:13]#[C:14][CH:15]1[CH2:20][CH2:19][N:18]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:17][CH2:16]1.[NH:28]1[C:36]2[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=2)[C:30]([CH:37]=O)=[N:29]1>CO.N1CCCCC1>[NH:28]1[C:36]2[C:31](=[CH:32]...
1
Cl.[Cl:2][C:3]1[C:12]2[C:7](=[CH:8][C:9]([O:15][C@H:16]3[CH2:21][CH2:20][CH2:19][N:18](C(OC(C)(C)C)=O)[CH2:17]3)=[C:10]([O:13][CH3:14])[CH:11]=2)[N:6]=[CH:5][N:4]=1.[Cl:29][C:30]1[C:31]([F:37])=[C:32]([CH:34]=[CH:35][CH:36]=1)[NH2:33]>O1CCOCC1.C(#N)C>[ClH:2].[ClH:29].[Cl:29][C:30]1[C:31]([F:37])=[C:32]([NH:33][C:3]2[C:...
1
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N+:13]([O-:15])=[O:14])=[C:6]([NH:8][CH2:9][CH2:10][CH2:11][OH:12])[CH:7]=1.C(N(C(C)C)CC)(C)C.[Si:25](Cl)([C:28]([CH3:31])([CH3:30])[CH3:29])([CH3:27])[CH3:26]>ClCCl>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([N+:13]([O-:15])=[O:14])=[C:6]([CH:7]=1)[NH:8][CH2:9][CH2:10][CH2:11][O:12][Si:25]([C:28]([...
1
FC=1C=C(C(=O)OC)C=CC1[N+](=O)[O-].O1CC(CC1)O>C1CCCO1.[H-].[Na+]>COC(C1=CC(=C(C=C1)[N+](=O)[O-])OC1COCC1)=O
3
BrC1=CC=C(C=C)C=C1.CC(=O)C.O>C[N+]1(CCOCC1)[O-].[Os](=O)(=O)(=O)=O>BrC1=CC=C(C=C1)C(CO)O
3
NC1=NNC=N1.COC(C(C(=O)OC)C1=NC=CC=C1C(F)(F)F)=O>>FC(C=1C(=NC=CC1)C=1C(=NC=2N(C1O)N=CN2)O)(F)F
5
[NH2:1][C@H:2](C(O)=O)C[SeH].N#CBr.[Cl:11][C:12]1[C:17]([Cl:18])=[CH:16][C:15]([NH2:19])=[C:14]([NH2:20])[CH:13]=1.C>CC#N.O.CO>[NH2:1][C:2]1[NH:20][C:14]2[CH:13]=[C:12]([Cl:11])[C:17]([Cl:18])=[CH:16][C:15]=2[N:19]=1
1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][CH2:12][C:13]2[N:14]=[C:15]3[CH:21]=[C:20]([C:22]4[CH:23]=[N:24][NH:25][CH:26]=4)[N:19](S(C4C=CC=CC=4)(=O)=O)[C:16]3=[N:17][CH:18]=2)[CH:6]=[C:7]([O:9][CH3:10])[CH:8]=1.N12CCCN=C1CCCCC2.[CH:47]1(/[CH:52]=[CH:53]/[C:54]#[N:55])[CH2:51][CH2:50][CH2:49][CH2:48]1>C(#N)C>[CH:47]1([CH:...
1
C1(=CC=CC=C1)C(N)=NO.C1(=CC=CC=C1)C1(CCCCC1)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>C1(=CC=CC=C1)C1=NOC(=N1)C1(CCCCC1)C1=CC=CC=C1
3
ClC1=NC=C(C=N1)C(C)N(C(=O)NC1=CC(=CC=C1)C#N)C1=C(C=C(C=C1)OC)F>>ClC1=NC=C2C(=N1)N(C(N(C2C)C2=C(C=C(C=C2)OC)F)=O)C=2C=C(C#N)C=CC2
5
[Br:1][C:2]1[C:3](=[O:24])[N:4]([CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=2)[CH:5]=[CH:6][C:7]=1[C:8]#[C:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1.CCO.[H][H]>CCOC(C)=O.O=[Pt]=O>[Br:1][C:2]1[C:3](=[O:24])[N:4]([CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([F:23])[CH:18]=2)[CH:5]=[CH:6][C:7]=1[CH2...
2
C(#C)[Si](C)(C)C.IC1=CN=C2N1N=C(C=C2)C2=CC=C(C(=O)OCC)C=C2>[Cu]I.N(C)(C)C=O.C(C)(C)N(C(C)C)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C[Si](C)(C)C#CC1=CN=C2N1N=C(C=C2)C2=CC=C(C(=O)OCC)C=C2
3
[C:1]([O:4][C:5]([C:9](=[O:19])[CH2:10][C:11](=[O:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[CH:6]OC)(=[O:3])[CH3:2].C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1>C1(C)C=CC=CC=1>[C:1]([O:4][C:5]1[C:9](=[O:19])[CH:10]=[C:11]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[O:18][CH:6]=1)(=[O:3])[CH3:2]
1
[H-].[Na+].[S:3]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:12][CH2:11][C@H:10]([CH2:13][OH:14])[CH2:9]2)=[CH:4]1.Cl[C:16]1[N:21]([CH3:22])[C:20](=[O:23])[CH:19]=[C:18]([C:24]2[CH:29]=[CH:28][N:27]=[CH:26][C:25]=2[F:30])[N:17]=1>CN(C)C=O>[F:30][C:25]1[CH:26]=[N:27][CH:28]=[CH:29][C:24]=1[C:18]1[N:17]=[C:16]([O:14][CH2:13][C@H:10]2[...
1
[CH2:1]([CH:3]1[C:8]2[NH:9][C:10]3[C:15]([C:7]=2[CH2:6][CH2:5][N:4]1[CH3:17])=[CH:14][C:13]([CH3:16])=[CH:12][CH:11]=3)[CH3:2].N1CCC[C@H]1C(O)=O.[O-]P([O-])([O-])=O.[K+].[K+].[K+].Br[CH:35]=[C:36]([C:38]1[CH:43]=[CH:42][C:41]([Cl:44])=[C:40]([Cl:45])[CH:39]=1)[CH3:37]>CN(C=O)C.[Cu]I>[Cl:45][C:40]1[CH:39]=[C:38]([C:36](...
1
[F:1][C:2]1[CH:3]=[C:4]([NH:8][C:9]([C:11]2[NH:12][C:13]([C:16]3[C:24]4[C:19](=[CH:20][CH:21]=[C:22]([N+:25]([O-:27])=[O:26])[CH:23]=4)[NH:18][N:17]=3)=[CH:14][CH:15]=2)=[O:10])[CH:5]=[CH:6][CH:7]=1.[C:28]1(C)C=CC=CC=1>CNN.CN1CCCC1=O>[F:1][C:2]1[CH:3]=[C:4]([NH:8][C:9]([C:11]2[NH:12][C:13]([C:16]3[C:24]4[C:19](=[CH:20]...
1
[C:1]([C:3]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][N:11]=[CH:10][CH:9]=2)[S:5][C:4]=1[C:14]1[CH:19]=[CH:18][N:17]=[CH:16][CH:15]=1)#[N:2].[OH-:20].[K+].O>CC(O)(C)C>[N:17]1[CH:18]=[CH:19][C:14]([C:4]2[S:5][C:6]([C:8]3[CH:9]=[CH:10][N:11]=[CH:12][CH:13]=3)=[CH:7][C:3]=2[C:1]([NH2:2])=[O:20])=[CH:15][CH:16]=1
1
ClC1=NC(=NC=C1C(F)(F)F)NC1CCN(CC1)S(=O)(=O)C=1C=NN(C1)C.BrC1=CC(=C(S1)C(C)O)C(=O)N>O1CCOCC1.[F-].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+].C[Sn]([Sn](C)(C)C)(C)C>OC(C)C=1SC(=CC1C(=O)N)C1=NC(=NC=C1C(F)(F)...
3
Cl.N1=CC=NC2=CC(=CC=C12)OB(O)O.COC(C1=C(C=CC(=C1)OC)NC1=C(C(=NN1C1=C(C=CC=C1)CC)C)Br)=O>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC(C1=C(C=CC(=C1)OC)NC1=C(C(=NN1C1=C(C=CC=C1)CC)C)C=1C=C2...
3
[N:1]#[C:2]Cl.[C:4]1([CH:11]=[CH:10][CH:9]=[C:7]([OH:8])[CH:6]=1)[OH:5].C(N(CC)CC)C>C(O)(C)C>[O-:5][C:2]#[N:1].[C:4]1([CH:11]=[CH:10][CH:9]=[C:7]([OH:8])[CH:6]=1)[OH:5]
1
[Si](C)(C)(C(C)(C)C)O[C@@H](CN(C(OC(C)(C)C)=O)CCCCC1(SCCS1)C1=CC=C(C=C1)NC(C1=CC(=CC=C1)S(=O)(=O)C=1C=C2C(=C(C=NC2=C(C1)C)C(N)=O)NC1=CC(=CC=C1)OC)=O)C1=C2C=CC(NC2=C(C=C1)O)=O>ClCCl.C(=O)(C(F)(F)F)O>O[C@@H](CNCCCCC1(SCCS1)C1=CC=C(C=C1)NC(=O)C=1C=C(C=CC1)S(=O)(=O)C=1C=C2C(=C(C=NC2=C(C1)C)C(=O)N)NC1=CC(=CC=C1)OC)C1=C2C=CC...
3
CC12C(C3OCC(C(=C3CC1)CCC(C)=O)=O)CCC2=O>>CC12C(CCC1C1OCC3=CC(CCC3=C1CC2)=O)=O
5
NC1=CC=C(C=N1)C=O.ClC1=NC=2N(C(=C1)Cl)N=CC2C#N>N(C)(C)C=O.O.[H-].[Na+]>ClC1=NC=2N(C(=C1)NC1=NC=C(C=C1)C=O)N=CC2C#N
3
[C:1]1(P(C2C=CC=CC=2)C2C=CC=CC=2)[CH:6]=CC=C[CH:2]=1.[H][H].[C]=O.[CH3:24][C:25]([CH2:27][CH:28]([CH3:30])[CH3:29])=[O:26]>[Co](Br)Br.C(O)(C)C.CC(C)=O.CN1CCCC1=O>[CH3:24][C:25]([CH2:27][CH2:28][CH2:30][CH2:1][CH3:2])=[O:26].[CH2:27]([C:25]([CH2:24][CH:1]([CH3:6])[CH3:2])=[O:26])[CH:28]([CH3:30])[CH3:29].[O:26]=[C:25]([...
1
OC1=C(C(=O)OC)C=CC(=C1)I>C(C)(=O)O.ClN1C(CCC1=O)=O>ClC=1C(=CC(=C(C(=O)OC)C1)O)I
3
CC=1C=2N(C=CC1)C=C(N2)C[C@H]2NCCCC2.CC1=CC=C(C(=N1)C(=O)O)OCCC>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>CC=1C=2N(C=CC1)C=C(N2)C[C@H]2N(CCCC2)C(=O)C2=NC(=CC=C2OCCC)C
3
CN1CCNCC1.BrC=1C=CC(=NC1)F>>BrC=1C=CC(=NC1)N1CCN(CC1)C
5
O=C1N(C=2N(C(=C1CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CN2)C2CCC1(O[C@H]3[C@@H](O1)CCC3)CC2>>O[C@@H]1[C@@H](CCC1)O[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CN2
5
N1=C(C=CC=C1)C(=N)N.ClC1=C2C(=NC(=C1)C1=NC(=CC=C1)C)NC=C2>CCO[H].C[O-].[Na+]>N1=C(C=CC=C1)C=1N=C(C2=C(N1)NC=C2)O
3
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[O:13])[CH:9]=[C:10]([CH3:12])[NH2:11])=[CH:4][CH:3]=1.BrC1C=CC([C:21](=O)[CH2:22][C:23](=[O:25])C)=CC=1.[OH-].[NH4+]>CO>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([C:9]2[CH:21]=[CH:22][C:23](=[O:25])[NH:11][C:10]=2[CH3:12])=[O:13])=[CH:6][CH:7]=1
1
[CH2:1]([O:3][C:4]([C:6]1[C:7](=[O:19])[N:8]([CH3:18])[C:9]2[C:14]([C:15]=1Cl)=[CH:13][C:12]([Cl:17])=[CH:11][CH:10]=2)=[O:5])[CH3:2].[NH:20]1[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1>O>[CH2:1]([O:3][C:4]([C:6]1[C:7](=[O:19])[N:8]([CH3:18])[C:9]2[C:14]([C:15]=1[N:20]1[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1)=[CH:13][C:12]...
1
C(N(CC)CC)C.[CH3:8][S:9](Cl)(=[O:11])=[O:10].[C:13]([O:17][C:18]([N:20]1[CH2:24][C@@H:23]([OH:25])[CH2:22][C@H:21]1[C:26](=[O:30])[NH:27][CH2:28][CH3:29])=[O:19])([CH3:16])([CH3:15])[CH3:14].[Cl-].[Na+]>O1CCCC1>[C:13]([O:17][C:18]([N:20]1[CH2:24][C@@H:23]([O:25][S:9]([CH3:8])(=[O:11])=[O:10])[CH2:22][C@H:21]1[C:26](=[O...
1
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([OH:14])[CH2:13][CH2:12][NH:11][CH2:10]2)[CH:5]=[C:6]([F:8])[CH:7]=1.C(#N)C.C(=O)([O-])[O-].[K+].[K+].I[CH2:25][CH2:26][CH3:27]>O>[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([OH:14])[CH2:13][CH2:12][N:11]([CH2:25][CH2:26][CH3:27])[CH2:10]2)[CH:5]=[C:6]([F:8])[CH:7]=1
1
C(OC(=O)[NH:7][CH2:8][CH2:9][N:10]([CH2:23][CH2:24][CH:25]([C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)[C:11]([NH:13][C:14]1[S:15][C:16]2[CH:22]=[CH:21][CH:20]=[CH:19][C:17]=2[N:18]=1)=[O:12])(C)(C)C.Cl>CCO>[NH2:7][CH2:8][CH2:9][N:10]([CH2:23][CH2:24][CH:25]([C:32]1[CH:...
2
N[C@H](C(=O)OC)C[C@H]1C(NCC1)=O.C(C)(C)(C)OC(=O)N[C@H](C(=O)O)[C@H]1OC2=C(C1)C=CC=C2>N(C)(C)C=O.CCN(CC)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>C(C)(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C(=O)OC)C[C@H]1C(NCC1)=O)[C@H]1OC2=C(C1)C=CC=C2
3
[N+](=O)([O-])C=1C=C(C=CC1)B(O)O.BrC1=CC(=CC=2CCOC21)CC2=CC=C(C=C2)F>>FC1=CC=C(C=C1)CC=1C=C(C2=C(CCO2)C1)C1=CC(=CC=C1)[N+](=O)[O-]
5
[CH3:1][O:2][C:3]1[CH:9]=[CH:8][C:6]([NH2:7])=[CH:5][CH:4]=1.[F:10][C:11]([F:21])([F:20])[C:12](=O)[CH2:13][C:14](OCC)=[O:15].C(=O)([O-])O.[Na+]>P(=O)(O)(O)O>[F:10][C:11]([F:21])([F:20])[C:12]1[CH:13]=[C:14]([OH:15])[C:8]2[C:6](=[CH:5][CH:4]=[C:3]([O:2][CH3:1])[CH:9]=2)[N:7]=1
1
C(C1=CC=CC=C1)N1C=NC=C1C=O.CC(C)CC1=CC=C(C=C1)C(=O)C>CO[H].[OH-].[Na+]>C(C1=CC=CC=C1)N1C=NC=C1C=CC(=O)C1=CC=C(C=C1)CC(C)C
3
C(C)(C)(C)C1=CC=C(C(=O)Cl)C=C1.NC1=C(C=CC(=C1)[N+](=O)[O-])O>C1(=CC=NC=C1)N(C)C.ClCCl>C(C)(C)(C)C1=CC=C(C(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O)C=C1
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[OH:13])[N:9]=[CH:8][CH:7]=[C:6]2[O:14][C:15]1[CH:20]=[CH:19][C:18]([N+:21]([O-:23])=[O:22])=[CH:17][CH:16]=1.[N+](C1C=CC([O:33][S:34]([C:37]([F:40])([F:39])[F:38])(=O)=[O:35])=CC=1)([O-])=O.C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](...
1
[CH3:1][O:2][C:3](=[O:19])[C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[C:6]([NH:11][C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH:5]=1.Br[CH:21](Br)[CH3:22].C([O-])([O-])=O.[K+].[K+]>CCC(=O)CC>[CH3:1][O:2][C:3]([C:4]1[CH:9]=[CH:8][C:7]2[O:10][CH2:22][CH2:21][N:11]([C:12]([O:14][C:15]([CH3:16])([CH3:18])[CH3:17])=[O:...
2
N1CCC1.ClC=1C(=C(C=CC1)C[C@@H]1N(C[C@@H]([C@@H]1NS(N(C)C)(=O)=O)F)C(=O)Cl)F>C1CCCO1.Cl.[HH]>N1(CCC1)C(=O)N1[C@H]([C@H]([C@H](C1)F)NS(N(C)C)(=O)=O)CC1=C(C(=CC=C1)Cl)F
3
ClC=1C=C(C(=O)O)C=CC1OC(C)C.ON\C(\C1=C2C=CN(C2=C(C=C1)CCC(=O)OCC)S(=O)(=O)C1=CC=C(C=C1)C)=N/[H]>>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C1=C2C=CNC2=C(C=C1)CCC(=O)OCC
5
C(OC([NH:8][CH:9]([CH2:13][C:14]1[CH:19]=[CH:18][C:17]([O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][O:26][C:27]2[CH:32]=[C:31]([C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=3)[CH:30]=[C:29]([C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)[N:28]=2)=[CH:16][CH:15]=1)[C:10]([OH:12])=[O:11])=O)(C)(C)C.FC(F)(F)C(O)=O.C(#N)C...
2
[CH2:1]([O:8][C:9]1[CH:18]=[CH:17][C:16]([CH3:19])=[C:15]2[C:10]=1[CH2:11][CH2:12][CH2:13][CH:14]2[C:20]([NH:22][C:23]1[CH:24]=[N:25][C:26]([CH:29]([CH3:31])[CH3:30])=[CH:27][CH:28]=1)=[O:21])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(OC([N:39]1[CH:43]=[C:42]([CH2:44]O)[CH:41]=[N:40]1)=O)(C)(C)C>>[CH2:1]([O:8][C:9]1[CH...
1
[C:1]([SiH2:5][O:6][C:7]([CH3:22])([CH3:21])[CH:8]1[CH2:12][N:11]([CH:13]2[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]2)[C:10](=[O:20])[CH2:9]1)([CH3:4])([CH3:3])[CH3:2].[CH3:23][Si]([N-][Si](C)(C)C)(C)C.[Li+].CI>O1CCCC1>[C:1]([SiH2:5][O:6][C:7]([CH3:22])([CH3:21])[CH:8]1[CH2:12][N:11]([CH:13]2[CH2:14][CH2:15][CH2:...
1
CC1=C(C=NN1CC(F)(F)F)C=1N(CCN1)C=1C=NC=CC1>>CC1=C(C=NN1CC(F)(F)F)C=1N(C=CN1)C=1C=NC=CC1
5
C(C)(=O)Cl.ClC=1C=C(C=CC1)N1CCN(CC1)CC[C@@H]1OC(C2(C1)CCN(CC2)C(CNC(OC(C)(C)C)=O)=O)=O>>Cl.Cl.ClC=1C=C(C=CC1)N1CCN(CC1)CC[C@@H]1OC(C2(C1)CCN(CC2)C(CN)=O)=O
5
COP(=O)(OC)CC(=O)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC(C(P(=O)(OC)OC)Br)=O
5
[CH3:1][S:2]([C:5]1[CH:6]=[C:7]([C:11]2[N:19]3[C:14]([CH:15]=[N:16][C:17]([NH:20][C:21]4[CH:26]=[CH:25][C:24]([C:27]5[CH2:28][CH2:29][N:30]([CH2:33][C:34]([NH2:36])=[O:35])[CH2:31][CH:32]=5)=[C:23]([C:37]([F:40])([F:39])[F:38])[CH:22]=4)=[N:18]3)=[CH:13][CH:12]=2)[CH:8]=[CH:9][CH:10]=1)(=[O:4])=[O:3].CS(C1C=C(C2N3C(C=N...
1
C([N:8]1[CH2:12][CH2:11][C@@H:10]([C:13]([C:26]#[N:27])([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH2:9]1)C1C=CC=CC=1.S(=O)(=O)(O)O.[H][H]>[C].[Pd].C(O)C>[C:26]([C:13]([C@@H:10]1[CH2:11][CH2:12][NH:8][CH2:9]1)([C:20]1[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=1)[C:14]1[CH...
1
Br[CH2:2][CH2:3][CH2:4][N:5]1[CH:9]=[CH:8][CH:7]=[CH:6]1.FCCCC[N:15]1[CH:19]=[C:18]([NH2:20])[CH:17]=[N:16]1>>[N:5]1([CH2:4][CH2:3][CH2:2][N:15]2[CH:19]=[C:18]([NH2:20])[CH:17]=[N:16]2)[CH:9]=[CH:8][CH:7]=[CH:6]1
2
[C:1]([C:3]1[CH:8]=[N:7][N:6]2[CH:9]=[C:10]([C:13](Cl)=[O:14])[C:11]([CH3:12])=[C:5]2[C:4]=1[NH:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)=[CH:19][CH:18]=1)#[N:2].CCN(CC)CC.Cl.[CH3:38][O:39][NH:40][CH3:41]>C(Cl)Cl.C(Cl)(Cl)Cl>[CH3:38][O:39][N:40]([CH3:41])[C:13]([C:10]1[C:11](...
1
[CH2:1]([N:4]([CH2:10]Cl)[C:5](=[O:9])[CH:6]([Cl:8])[Cl:7])[CH:2]=[CH2:3].[CH3:12][O:13][CH2:14][CH2:15][OH:16].C(N(CC)CC)C>C(Cl)(Cl)Cl>[CH2:1]([N:4]([CH2:10][O:16][CH2:15][CH2:14][O:13][CH3:12])[C:5](=[O:9])[CH:6]([Cl:8])[Cl:7])[CH:2]=[CH2:3]
1
CC1=NC=C(C(=O)O)C=C1NC(=O)C=1C=NN2C1SC(=C2)C=2C=NN(C2)C.FC1(CN(CCC1)CCN)F>N(C)(C)C=O.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>FC1(CN(CCC1)CCNC(=O)C=1C=C(C(=NC1)C)NC(=O)C=1C=NN2C1SC(=C2)C=2C=NN(C2)C)F
3
C1(CCCCC1)N(C(=O)NC=1SC(=CN1)C=O)C1CCCCC1>CO[H].[BH4-].[Li+]>C1(CCCCC1)N(C(=O)NC=1SC(=CN1)CO)C1CCCCC1
3
C(C)(C)(C)C1=NC(=C2N=CNC2=N1)Cl.ClCC1=NN=NN1C1CC1>>C(C)(C)(C)C1=NC(=C2N=CN(C2=N1)CC1=NN=NN1C1CC1)Cl
5
[C:1]([C:3]1[CH:33]=[CH:32][CH:31]=[CH:30][C:4]=1[O:5][C:6]1[C:20]([O:21]C2C=CC(C#N)=CC=2)=[CH:19][C:9]2[NH:10][C:11]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=3)=[N:12][C:8]=2[CH:7]=1)#[N:2].O[C:35]1[CH:36]=[C:37]([CH:40]=[CH:41][CH:42]=1)[C:38]#[N:39]>>[C:1]([C:3]1[CH:33]=[CH:32][CH:31]=[CH:30][C:4]=1[O:5][C:6]1[C:...
1
[CH3:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][CH:11]1[CH2:16][CH2:15][CH2:14][CH2:13][O:12]1)[CH:5]=O.[N:17]1([CH2:22][CH2:23][O:24][C:25]2[CH:30]=[CH:29][C:28]([NH2:31])=[CH:27][CH:26]=2)[CH2:21][CH2:20][CH2:19][CH2:18]1.S([O-])([O-])(=O)=O.[Mg+2]>C(Cl)Cl>[CH3:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[O:10][CH:...
1
[C:1](OC(=O)C)(=[O:3])[CH3:2].[CH:8]1([NH:13][C:14]2[CH:15]=[N:16][O:17][C:18]=2[CH3:19])[CH2:12][CH2:11][CH2:10][CH2:9]1>C(O)(=O)C>[CH:8]1([N:13]([C:14]2[CH:15]=[N:16][O:17][C:18]=2[CH3:19])[C:1](=[O:3])[CH3:2])[CH2:9][CH2:10][CH2:11][CH2:12]1
2
Br[C:2]1[CH:7]=[CH:6][C:5]([N:8]([C:16]2[CH:21]=[CH:20][C:19](Br)=[CH:18][CH:17]=2)[C:9]2[CH:14]=[CH:13][C:12](Br)=[CH:11][CH:10]=2)=[CH:4][CH:3]=1.[CH3:23][O:24][C:25]1[CH:30]=[CH:29][C:28](B2OC(C)(C)C(C)(C)O2)=[CH:27][CH:26]=1.[C:40](=[O:43])([O-])[O-].[K+].[K+]>O1CCOCC1>[CH3:23][O:24][C:25]1[CH:30]=[CH:29][C:28]([C:...
2
[H-].[Na+].CO.[C:5]([CH2:7][C:8]([NH2:10])=[O:9])#[N:6].[Cl:11][C:12]1[CH:17]=[C:16]([Cl:18])[CH:15]=[CH:14][C:13]=1[C:19](=O)[C:20]([C:25]1[CH:30]=[CH:29][C:28]([CH3:31])=[CH:27][CH:26]=1)=[CH:21]N(C)C>CN(C=O)C>[Cl:11][C:12]1[CH:17]=[C:16]([Cl:18])[CH:15]=[CH:14][C:13]=1[C:19]1[NH:10][C:8](=[O:9])[C:7]([C:5]#[N:6])=[C...
1
FC(C1=C(C=CC=C1)CC(=O)O)(F)F.COC=1C=C(N)C=CC1C1=CC=NC=C1>N(C)(C)C=O.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>COC=1C=C(C=CC1C1=CC=NC=C1)NC(CC1=C(C=CC=C1)C(F)(F)F)=O
3
FC1=C(C=CC(=C1)F)C#C.C(C)OC(=O)C1=CN(C2=NC(=C(C=C2C1=O)Br)OC)[C@@H](C(C)C)C(O[SiH2]C(C)(C)C)(C)C>[Cu]I.CO[H].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC.[HH].[Pd]>C(C)OC(=O)C1=CN(C2=NC(=C(C=C2C1=O)CCC1=C(C=C(C=C1)F)F)OC)[C@@H](C(C)C)C(O[SiH2]C(C)(C)C)(C)C
3
[NH2:1][CH2:2][CH2:3][C:4]1[N:5]([CH3:9])[CH:6]=[CH:7][CH:8]=1.[Cl:10][C:11]1[CH:16]=[C:15]([Cl:17])[C:14]([Cl:18])=[CH:13][C:12]=1[S:19](Cl)(=[O:21])=[O:20]>>[Cl:10][C:11]1[CH:16]=[C:15]([Cl:17])[C:14]([Cl:18])=[CH:13][C:12]=1[S:19]([NH:1][CH2:2][CH2:3][C:4]1[N:5]([CH3:9])[CH:6]=[CH:7][CH:8]=1)(=[O:21])=[O:20]
1
C(OC([NH:11][C@H:12]1[CH2:17][CH2:16][N:15]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH2:14][C@H:13]1[O:23][CH3:24])=O)C1C=CC=CC=1>CO.Cl.[Pd].C>[NH2:11][C@@H:12]1[CH2:17][CH2:16][N:15]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH2:14][C@@H:13]1[O:23][CH3:24]
2
[CH3:1][C:2]1[S:6][CH:5]=[N:4][C:3]=1[CH:7]([OH:9])[CH3:8].[Br:10]N1C(=O)CCC1=O.C1(C(OOC(=O)C2C=CC=CC=2)=O)C=CC=CC=1>C(Cl)(Cl)(Cl)Cl>[Br:10][CH2:1][C:2]1[S:6][CH:5]=[N:4][C:3]=1[C:7](=[O:9])[CH3:8]
1
[C:1]([O:5][C:6]1[CH:11]=[CH:10][C:9]([P:12]([O:23][CH2:24][CH3:25])([CH2:14][P:15]([O:20][CH2:21][CH3:22])([O:17][CH2:18][CH3:19])=[O:16])=[O:13])=[CH:8][C:7]=1[C:26]([CH3:32])([CH3:31])[CH2:27][C:28](O)=[O:29])(=[O:4])[CH2:2][CH3:3].[CH3:33]CN(C(C)C)C(C)C.CN(C(ON1N=N[C:52]2[CH:53]=[CH:54][CH:55]=[CH:56][C:51]1=2)=[N+...
1
C(C)(C)(C)S(=O)(=O)C=1C=C2C(=NC=NC2=CC1OCCCN1CCN(CC1)C1=NC=C(C=N1)OCCN1C([C@H](N(CC1)C(=O)OC(C)(C)C)C)=O)NC1=C(C(=NN1)C)C>CCO[H].Cl>Cl.C(C)(C)(C)S(=O)(=O)C=1C=C2C(=NC=NC2=CC1OCCCN1CCN(CC1)C1=NC=C(C=N1)OCCN1C(C(NCC1)C)=O)NC1=C(C(=NN1)C)C
3
C(C1=CC=CC=C1)OC(=O)NCCS(=O)(=O)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)N[C@H]1C(N[C@H](COCCCCOC=2C=CC(C1)=CC2)C(C)C)=O>CO[H].[HH].[Pd]>NCCS(=O)(=O)C[C@@H](C(=O)O)NC(=O)N[C@H]1C(N[C@H](COCCCCOC=2C=CC(C1)=CC2)C(C)C)=O
3
C1CC12CCNCC2.ClC1=C(C(=O)OCC2=CC=CC=C2)C=CC(=N1)Cl>O.C1CCCO1.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>ClC1=NC(=C(C(=O)OCC2=CC=CC=C2)C=C1)N1CCC2(CC2)CC1
3
C(C=C)C1=CC=CC=C1.BrC1=CC(=C(C(=O)OC(C)(C)C)C=C1)[N+](=O)[O-]>>[N+](=O)([O-])C1=C(C(=O)OC(C)(C)C)C=CC(=C1)C=CCC1=CC=CC=C1
5
C1=CC=CC=C1.ClC=1C(=C(C(=O)O)C=CC1)C>[Al](Cl)(Cl)Cl.ClS(Cl)=O>ClC1=CC=C2CCC(C2=C1C)=O
3
O=C1NC=2N(C(=C1)C1CCN(CC1)C(=O)OC(C)(C)C)N=CC2C2=CC=CC=C2>CO[H].Cl.O1CCOCC1>Cl.C1(=CC=CC=C1)C=1C=NN2C1NC(C=C2C2CCNCC2)=O
3
OC1=CC=NC=C1.CC1=NC=2N(C(=C1)C)N=C(N2)SCCO>>CC1=NC=2N(C(=C1)C)N=C(N2)SCCOC2=CC=NC=C2
5
[CH3:1][C:2]1([CH3:21])[CH:7]([N:8]2[CH2:12][CH2:11][O:10][C:9]2=[O:13])[CH2:6][CH2:5][N:4]([C:14]([O:16]C(C)(C)C)=O)[CH2:3]1.C(O)(C(F)(F)F)=O.CC1(C)C(N2CCOC2=O)CCNC1.[Cl:43][C:44]1[N:48]2[CH:49]=[C:50]([C:57]3[CH:61]=[CH:60][O:59][CH:58]=3)[CH:51]=[C:52]([C:53]([F:56])([F:55])[F:54])[C:47]2=[N:46][C:45]=1C(O)=O.CN(C(O...
2
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC1=NC=C(C(=C1)C)[N+](=O)[O-]>[Zn].[Cl-].[NH4+]>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC1=CC(=C(C=N1)N)C
3
[Cl:1][C:2]1[CH:7]=[C:6]([N:8]2[CH2:13][CH2:12][O:11][CH2:10][CH2:9]2)[CH:5]=[CH:4][C:3]=1[S:14]([C@H:17]1[CH2:21][N:20]([C:22]([C:24]2([C:27]3[CH:32]=[CH:31][C:30]([Cl:33])=[CH:29][CH:28]=3)[CH2:26][CH2:25]2)=[O:23])[C@H:19]([C:34](O)=[O:35])[CH2:18]1)(=[O:16])=[O:15].[CH:37]1([NH:40][C:41](=[O:49])[C:42](=[O:48])[C@@...
1
COC=1C=CC(=C(C(=O)NC2=CC3=C(OC(C(O3)(F)F)(F)F)C=C2)C1)[N+](=O)[O-]>>NC1=C(C(=O)NC2=CC3=C(OC(C(O3)(F)F)(F)F)C=C2)C=C(C=C1)OC
5
ClCC(CC(=O)OC)=O.CCC=1C=C(C=CN1)C(=S)N>CO[H]>C(C)C1=NC=CC(=C1)C=1SC=C(N1)CC(=O)OC
3
[CH2:1]1[C:10]2[C:5](=[CH:6][C:7]([O:11][C:12]3[CH:20]=[CH:19][C:15]([C:16]([NH2:18])=[O:17])=[CH:14][N:13]=3)=[CH:8][CH:9]=2)[CH2:4][CH2:3][NH:2]1.CN(C=O)C.CCN(CC)CC.[CH2:33](Br)[CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1>C(OCC)(=O)C.O>[CH2:33]([N:2]1[CH2:3][CH2:4][C:5]2[C:10](=[CH:9][CH:8]=[C:7]([O:11][C:1...
1