Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
N1CCNCC1.ClC1=CC(=NN1C1=CC=CC=C1)C>>CC1=NN(C(=C1)N1CCNCC1)C1=CC=CC=C1
5
BrC=1C=C2C(NC=NC2=CC1)=O.BrCC1=CC=CC=2OCOC21>CC#N.Cl.C([O-])([O-])=O.[K+].[K+]>O1COC2=C1C=CC=C2CN2C=NC1=CC=C(C=C1C2=O)Br
3
N1C(=CC=C1)C(=O)O.N[C@@H](CO)C.FC=1C=C(C=CC1OC1=C2C(=NC=C1)N(N=C2I)CC2=CC=C(C=C2)OC)NC(=O)C=2C(N(C=1CCCC(C1C2)=O)C2=CC=CC=C2)=O>[Cu]I.C([O-])([O-])=O.[K+].[K+].CS(=O)C>FC=1C=C(C=CC1OC1=C2C(=NC=C1)N(N=C2N[C@@H](CO)C)CC2=CC=C(C=C2)OC)NC(=O)C=2C(N(C1=CC=CC(=C1C2)O)C2=CC=CC=C2)=O
3
COC=1C=C(C=CC1)O.FC1=CC=C(C#N)C=C1>>COC=1C=C(OC2=CC=C(C#N)C=C2)C=CC1
5
[F:1][C:2]1[CH:3]=[C:4]([OH:8])[CH:5]=[CH:6][CH:7]=1.C(=O)([O-])[O-].[K+].[K+].Br[C:16]#[C:17][CH3:18]>CN(C=O)C.O>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([O:8][CH2:18][C:17]#[CH:16])[CH:3]=1
1
ClC(Cl)(Cl)[C:3]([C:5]1[NH:6][CH:7]=[C:8]([C:10]#[N:11])[CH:9]=1)=[O:4].[NH3:14]>CO.O>[C:10]([C:8]1[CH:9]=[C:5]([C:3]([NH2:14])=[O:4])[NH:6][CH:7]=1)#[N:11]
1
[CH2:1]([O:3][C:4]([N:6]1[CH2:11][CH2:10][N:9]([C:12](=[O:42])[C@@H:13]([NH:22][C:23]([C:25]2[CH:29]=[C:28]([O:30][CH2:31][C:32](O)=[O:33])[N:27]([C:35]3[CH:40]=[CH:39][CH:38]=[C:37]([F:41])[CH:36]=3)[N:26]=2)=[O:24])[CH2:14][C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:8][CH2:7]1)=[O:5])[CH3:2].C1C=CC2N...
1
FC=1C=C(C=CC1)C1(C=2N(CCC1)N=C(N2)\C=C\C2=CC(=C(C=C2)N2C=NC(=C2)C)OC)CO>>FC=1C=C(C=CC1)C1(C=2N(CCC1)N=C(N2)\C=C\C2=CC(=C(C=C2)N2C=NC(=C2)C)OC)C=O
5
NC=1C2=C(N=CN1)C(=CN2)[C@@H]2N([C@@H]([C@H]([C@@H]2O)O)CO)C(=O)OC(C)(C)C>CCO[H].Cl>NC=1C2=C(N=CN1)C(=CN2)[C@@H]2N[C@@H]([C@H]([C@@H]2O)O)CO
3
C1(CC1)C=1C=C2C(=NC1N(S(=O)(=O)C)CCCCC(=O)OC)OC(=C2C(NC)=O)C2=CC=C(C=C2)C>O.C1CCCO1.CO[H].[OH-].[Li+]>O.C(C)#N.[NH4+].[OH-].C1(CC1)C=1C=C2C(=NC1N(S(=O)(=O)C)CCCCC(=O)O)OC(=C2C(NC)=O)C2=CC=C(C=C2)C
3
FC=1C=C(C=C(C1)F)CC(C(CNC1(CC1)C1=CC(=CC=C1)C(=C)C(F)(F)F)O)NC(C)=O>>FC=1C=C(CC(C(CNC2(CC2)C2=CC(=CC=C2)C(C(F)(F)F)C)O)NC(C)=O)C=C(C1)F
5
C(=S)(Cl)Cl.NC(CC(=O)N(CCO)CC)C1=CC(=CC=C1)C(F)(F)F>ClCCl.C(O)([O-])=O.[Na+]>C(C)N(C(CC(C1=CC(=CC=C1)C(F)(F)F)N=C=S)=O)CCO
3
Br[C:2]1[CH:3]=[N:4][C:5]2[N:6]([N:8]=[C:9]([C:11]([CH3:14])([CH3:13])[CH3:12])[CH:10]=2)[CH:7]=1.[C:15]([C:17]1[CH:22]=[CH:21][CH:20]=[C:19]([CH3:23])[CH:18]=1)#[CH:16]>>[C:11]([C:9]1[CH:10]=[C:5]2[N:4]=[CH:3][C:2]([C:16]#[C:15][C:17]3[CH:18]=[C:19]([CH3:23])[CH:20]=[CH:21][CH:22]=3)=[CH:7][N:6]2[N:8]=1)([CH3:14])([CH...
1
Cl[C:2]1[C:7]([S:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17]C)=[CH:13][CH:12]=2)(=[O:10])=[O:9])=[CH:6][CH:5]=[C:4]([CH3:19])[N:3]=1.C([O-])([O-])=O.[Na+].[Na+].[BrH:26]>O>[Br:26][C:2]1[C:7]([S:8]([C:11]2[CH:16]=[CH:15][C:14]([OH:17])=[CH:13][CH:12]=2)(=[O:10])=[O:9])=[CH:6][CH:5]=[C:4]([CH3:19])[N:3]=1
1
FC=1C=C(C=CC1F)CCC(=O)O>CCO[H].C(C)(=O)Cl>FC=1C=C(C=CC1F)CCC(=O)OCC
3
[CH3:1][NH:2][CH:3]1[CH2:16][C:15]2[C:6]([CH3:25])([CH:7]3[CH:12]([CH2:13][CH:14]=2)[CH:11]2[CH2:17][CH2:18][CH:19]4[CH:20]([CH3:24])[N:21]([CH3:23])[CH2:22][C:10]24[CH2:9][CH2:8]3)[CH2:5][CH2:4]1.[C:26]([NH:29][C@@H:30]([C:32]([OH:34])=O)[CH3:31])(=[O:28])[CH3:27].Cl.CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1>C1COCC1.ClCCl>[C...
1
[CH3:1][C:2]1([CH3:26])[CH2:11][CH2:10][C:9]([CH3:13])([CH3:12])[C:8]2[CH:7]=[C:6]([Se:14][C:15]#[C:16][C:17]3[CH:25]=[CH:24][C:20]([C:21]([OH:23])=O)=[CH:19][CH:18]=3)[CH:5]=[CH:4][C:3]1=2.ON1C2C=CC=CC=2N=N1.CN(C)CCCN=C=NCC.[NH2:48][C:49]1[CH:54]=[CH:53][C:52]([OH:55])=[CH:51][CH:50]=1>C1COCC1.C(OCC)(=O)C.O>[OH:55][C:...
1
ClC1=CC=2C=3N(C=NC2C=C1)C=NN3>Cl.[OH-].[K+]>NC1=C(C=C(C=C1)Cl)C1=NC=NN1
3
[C:1]([O:4][C:5]1[C:6]([CH3:20])=[C:7]([CH3:19])[C:8]2[O:13][C:12]([CH2:15][CH3:16])([OH:14])[CH2:11][CH2:10][C:9]=2[C:17]=1[CH3:18])(=[O:3])[CH3:2].[H-].[Na+].[CH:23]([O:26][C:27](=[O:35])[C:28]([CH3:34])([CH3:33])[CH2:29][CH2:30][CH2:31]Br)([CH3:25])[CH3:24].Cl>C1C=CC=CC=1.CS(C)=O.C(OCC)C.O>[C:1]([O:4][C:5]1[C:6]([CH...
1
[N+](=O)([O-])C1=CC=C(C=C1)C=1C(NC=CC1)=O.C(C)OC(CCC1=CC=C(C=C1)CCl)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)OC(CCC1=CC=C(C=C1)CN1C(C(=CC=C1)C1=CC=C(C=C1)[N+](=O)[O-])=O)=O
3
ClC1=CC=C(S1)C1=NN=C(O1)SCC(=O)NC1=CC=CC=C1>CCO[H].C(C)(=O)[O-].[Na+]>ClC1=CC=C(S1)C(=O)NN=C1SCC(N1C1=CC=CC=C1)=O
3
CC(C)=O.[CH3:5][O:6][C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][C:12]=1[O:13][CH2:14][CH2:15][NH:16][CH2:17][CH:18]([OH:34])[CH2:19][O:20][C:21]1[CH:22]=[CH:23][CH:24]=[C:25]2[NH:33][C:32]3[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=3[C:26]=12.[C:35]([OH:40])(=[O:39])[C@H:36]([CH3:38])[OH:37]>O>[CH3:5][O:6][C:7]1[CH:8]=[CH:9][CH:10]=[...
1
Cl[C:2]1[N:7]=[C:6]([NH:8][CH2:9][C:10]2[C:11]([C:21]3[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=3[Cl:27])=[N:12][C:13]3[C:18]([CH:19]=2)=[CH:17][CH:16]=[CH:15][C:14]=3[Cl:20])[C:5]([F:28])=[CH:4][N:3]=1.[C:29](=[NH:42])([C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1)[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1.C1(P(C2C=CC...
1
CNC(=O)C(=O)OCC>>CNC(=S)C(=O)OCC
5
C(C1=CC=CC=C1)OC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC1=CNC2=CC=CC=C12)C.C(C)(C)(C)OC(N[C@H](C(C(NCC1=NC=CC=C1)=O)O)CC1=CC=CC=C1)=O>>C(C1=CC=CC=C1)OC(N[C@@H](C)C(N[C@@H](CC1=CNC2=CC=CC=C12)C(N[C@H](C(C(NCC1=NC=CC=C1)=O)O)CC1=CC=CC=C1)=O)=O)=O
5
FC(S(=O)(=O)O[Si](C)(C)C)(F)F.C(C)(=O)O[C@H]1[C@H](OC(C2=CC=CC=C2)=O)[C@H](OC(C2=CC=CC=C2)=O)[C@H](O1)COC(C1=CC=CC=C1)=O.ClC=1C2=C(N=CN1)NC=C2I>CC#N.C[Si](/N=C(\C)/O[Si](C)(C)C)(C)C>C(C1=CC=CC=C1)(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(C1=CC=CC=C1)=O)N1C=C(C2=C1N=CN=C2Cl)I)COC(C2=CC=CC=C2)=O
3
BrC1=NC=2N(C(NC(C2N1)=O)=O)C.ClC1=CC=C(CBr)C=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>BrC1=NC=2N(C(NC(C2N1CC1=CC=C(C=C1)Cl)=O)=O)C
3
ClCCN1CCCC1.C1(CCCCC1)NC1=C2N=CNC2=NC(=N1)NC1=C(C=C(C=C1)N1CCNCC1)OC>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C1(CCCCC1)NC1=C2N=CNC2=NC(=N1)NC1=C(C=C(C=C1)N1CCN(CC1)CCN1CCCC1)OC
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C@H:9]1[CH2:13][CH2:12][CH2:11][N:10]1[C:14]1[CH:19]=[CH:18][N:17]2[N:20]=[CH:21][C:22]([N+:23]([O-])=O)=[C:16]2[N:15]=1.CO.C(Cl)Cl.[NH4+].[Cl-]>C(Cl)Cl.[Zn]>[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][C:3]=1[C@H:9]1[CH2:13][CH2:12][CH2:11][N:10]1[C:14]1[CH:19]=[CH:18]...
1
C(C1=CC=CC=C1)N1C2CC3=C(C(CC1=O)C2)N=CC=C3>>C(C1=CC=CC=C1)N1C2CC3=C(C(CC1)C2)N=CC=C3
5
COC1=CC=C(C(=O)C2CCN(CC2)C(=O)C2=NC=C(C(=O)O)C=C2)C=C1.FC(C1CN(CCC1N)C(=O)OC(C)(C)C)(F)F>>COC1=CC=C(C(=O)C2CCN(CC2)C(=O)C2=NC=C(C(=O)N[C@@H]3[C@@H](CN(CC3)C(=O)OC(C)(C)C)C(F)(F)F)C=C2)C=C1
5
[N+](=O)([O-])C1=CC=C(C(=O)O[C@@H]2C=3N(CC[C@H]2[C@@H]2N4C(C5=CC=CC=C25)=CN=C4)N=C(C3)CF)C=C1>O.C1CCCO1.[OH-].[Li+]>FCC1=NN2C([C@@H]([C@H](CC2)[C@H]2N3C(C4=CC=CC=C24)=CN=C3)O)=C1
3
S(=O)(=O)(O)O.[C:6]1([C:12]#[C:13][C:14]2[CH:15]=[CH:16][C:17](=[O:20])[NH:18][N:19]=2)[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1.C(=O)([O-])[O-:22].[Na+].[Na+]>C(O)(=O)C>[O:22]=[C:12]([C:6]1[CH:7]=[CH:8][CH:9]=[CH:10][CH:11]=1)[CH2:13][C:14]1[CH:15]=[CH:16][C:17](=[O:20])[NH:18][N:19]=1
2
C(C)I.BrC=1C=C(C=CC1F)S>C([O-])([O-])=O.[K+].[K+].CC(=O)C>BrC=1C=C(C=CC1F)SCC
3
[NH2:1][C:2]([NH2:4])=[O:3].N[C:6]1[CH:7]=[C:8]([CH:12]=[CH:13][CH:14]=1)[C:9]([OH:11])=[O:10].Cl>CN(C)C=O.O>[C:9]([C:8]1[CH:7]=[C:6]([NH:1][C:2]([NH2:4])=[O:3])[CH:14]=[CH:13][CH:12]=1)([OH:11])=[O:10]
1
ClC1=C(C(=NN1C1=CC=CC=C1)C)C(C1=CNC2=NC=CC=C21)OC>CC#N.C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>ClC1=C(C(=NN1C1=CC=CC=C1)C)CC1=CNC2=NC=CC=C21
3
[CH:1]1[C:6](/[CH:7]=[CH:8]/[C:9]2[CH:14]=[C:13]([O:15][C@@H:16]3[O:21][C@H:20]([CH2:22][OH:23])[C@@H:19]([OH:24])[C@H:18]([OH:25])[C@H:17]3[OH:26])[CH:12]=[C:11]([OH:27])[CH:10]=2)=[CH:5][CH:4]=[C:3]([OH:28])[CH:2]=1>CO>[OH:27][C:11]1[CH:12]=[C:13]([O:15][C@H:16]2[C@H:17]([OH:26])[C@@H:18]([OH:25])[C@H:19]([OH:24])[C@...
2
[Br:1][C:2]1[CH:3]=[C:4]2[CH2:10][C:9](=O)NC2=[N:6][CH:7]=1.[H-].[Na+].I[CH3:15].[CH3:16][N:17]([CH:19]=[O:20])[CH3:18]>>[Br:1][C:2]1[CH:3]=[C:4]2[C:10]([CH3:9])([CH3:15])[C:19](=[O:20])[N:17]([CH3:18])[C:16]2=[N:6][CH:7]=1
1
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.Cl.[NH2:26][C@@H:27]([CH:52]([CH3:54])[CH3:53])[C:28]([N:30]1[CH2:34][C@H:33]([OH:35])[CH2:32][C@H:31]1[C:36]([NH:38][CH2:39][C:40]1[CH:45]=[CH:44][C:43]([C:46]2[S:50][CH:49]=[N:48][C:47]=2[CH3:51])=[CH:42][CH:41]=1)=[O:37])=[O:29].[OH:55][C:56]1[CH:57]=[CH:58][C:5...
2
CC=1N=CNC1.ClC1=NC=C(C=N1)C=O>C([O-])([O-])=O.[K+].[K+].CS(=O)C>CC=1N=CN(C1)C1=NC=C(C=N1)C=O
3
C(C1=CC=CC=C1)C1=NC(=C(C(=N1)C)C(C(=O)OC)CCC)C1=CC=CC=C1>C1CCCO1.CCO[H].[OH-].[Na+]>C(C1=CC=CC=C1)C1=NC(=C(C(=N1)C)C(C(=O)O)CCC)C1=CC=CC=C1
3
[H-].[Na+].[CH2:3]([C:11]1[CH:16]=[CH:15][C:14]([C:17]2[N:22]=[CH:21][C:20]([C:23]3[CH:28]=[CH:27][C:26]([OH:29])=[CH:25][CH:24]=3)=[CH:19][N:18]=2)=[CH:13][CH:12]=1)[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].[CH3:30][C:31]1C=C[C:34](S([O-])(=O)=O)=[CH:33][CH:32]=1.CN(C)C=[O:44]>>[CH2:3]([C:11]1[CH:16]=[CH:15][...
1
BrC1=C(C=CC=C1)[N+](=O)[O-].C(C1=CC=CC=C1)OC=1C=CC(=C2C(CNC12)(C)C)C(F)(F)F>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.C(=O)([O-])[O-].[Cs+].[Cs+].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...
3
[CH3:1][S:2]([CH:4]([C:6]1[CH:7]=[CH:8][C:9]([C:12]([F:15])([F:14])[F:13])=[N:10][CH:11]=1)[CH3:5])=O.[CH3:16][S:17]([NH2:20])(=[O:19])=[O:18].C(O)(=O)C.C(O)(=O)C.IC1C=CC=CC=1>C(#N)C>[CH3:1][S:2]([CH:4]([C:6]1[CH:11]=[N:10][C:9]([C:12]([F:15])([F:14])[F:13])=[CH:8][CH:7]=1)[CH3:5])=[N:20][S:17]([CH3:16])(=[O:19])=[O:18...
2
CC1(CC(C(CC1)C=O)=O)C>O.CO[H].NN>CC1(CCC=2C=NNC2C1)C
3
[CH2:1]([C:3]1[CH:9]=[CH:8][CH:7]=[CH:6][C:4]=1[NH2:5])[CH3:2].N[C:11]1[C:12](C)=CC=C[CH:16]=1>>[CH2:1]([C:3]1[CH:9]=[CH:8][CH:7]=[C:6]([CH:11]([CH3:12])[CH3:16])[C:4]=1[NH2:5])[CH3:2]
1
[C:1]([C:3]1[N:4]=[C:5]([N:8]2[CH2:12][CH2:11][C@@H:10](OS(C)(=O)=O)[CH2:9]2)[S:6][CH:7]=1)#[N:2].[C:18]([O-:21])(=[S:20])[CH3:19].[K+]>C(#N)C>[C:18]([S:20][C@H:10]1[CH2:11][CH2:12][N:8]([C:5]2[S:6][CH:7]=[C:3]([C:1]#[N:2])[N:4]=2)[CH2:9]1)(=[O:21])[CH3:19]
1
C=O.[F:3][C:4]1[CH:5]=[C:6]([NH:16][C:17]2[N:22]=[C:21]([CH2:23][CH2:24][C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=3[CH2:31][C:32]([NH2:34])=[O:33])[C:20]([C:35]([F:38])([F:37])[F:36])=[CH:19][N:18]=2)[CH:7]=[CH:8][C:9]=1[CH:10]1[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]1.[C:39](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>CO>[F:3...
1
[CH2:1]([O:5][C:6]1[CH:11]=[CH:10][C:9]([S:12](Cl)(=[O:14])=[O:13])=[CH:8][CH:7]=1)[CH2:2][CH2:3][CH3:4].[NH2:16][C:17]1[CH:22]=[CH:21][C:20]([N:23]2[CH2:26][CH:25]([N:27]([CH2:47][C:48]3[CH:53]=[CH:52][CH:51]=[CH:50][CH:49]=3)[CH2:28][C@H:29]([OH:46])[CH2:30][O:31][C:32]3[CH:37]=[CH:36][C:35]([O:38][CH2:39][C:40]4[CH:...
1
I([O-])(=O)(=O)=O.[Na+].[OH:7][CH:8](CO)[CH2:9][NH:10][C:11](=[O:17])[O:12][C:13]([CH3:16])([CH3:15])[CH3:14].ClCCl>O>[O:7]=[CH:8][CH2:9][NH:10][C:11](=[O:17])[O:12][C:13]([CH3:15])([CH3:14])[CH3:16]
2
Cl.[CH2:2]([O:4][C:5](=[O:31])[C:6]1[CH:11]=[CH:10][C:9]([O:12][CH2:13][CH2:14][C@H:15]([CH:17]2[CH2:22][CH2:21][N:20](C(OC(C)(C)C)=O)[CH2:19][CH2:18]2)C)=[N:8][C:7]=1[CH3:30])[CH3:3]>O1CCOCC1>[CH2:2]([O:4][C:5](=[O:31])[C:6]1[CH:11]=[CH:10][C:9]([O:12][CH2:13][CH2:14][CH2:15][CH:17]2[CH2:18][CH2:19][NH:20][CH2:21][CH2...
2
[F:1][C:2]1[CH:3]=[C:4]([C:10]2[O:11][C:12]3[C:17]([C:18](=[O:20])[CH:19]=2)=[CH:16][CH:15]=[CH:14][CH:13]=3)[CH:5]=[CH:6][C:7]=1[O:8]C.CC(O)=O.O>I>[F:1][C:2]1[CH:3]=[C:4]([C:10]2[O:11][C:12]3[C:17]([C:18](=[O:20])[CH:19]=2)=[CH:16][CH:15]=[CH:14][CH:13]=3)[CH:5]=[CH:6][C:7]=1[OH:8]
1
NC1=C(C(=O)O)C=CC=C1.ClC1=C(C=CC(=C1)Cl)S(=O)(=O)Cl>O.ClCCl.Cl.[OH-].[Na+]>ClC1=C(C=CC(=C1)Cl)S(=O)(=O)NC1=C(C(=O)O)C=CC=C1
3
[F:1][C:2]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][O:12][CH2:11][CH2:10]2)=[CH:5][C:3]=1[NH2:4].C[Al](C)C.[NH:19](/[C:23](/[CH3:29])=[CH:24]\[C:25](OC)=[O:26])[C:20]([CH3:22])=O>C(Cl)Cl>[F:1][C:2]1[CH:8]=[CH:7][C:6]([N:9]2[CH2:14][CH2:13][O:12][CH2:11][CH2:10]2)=[CH:5][C:3]=1[N:4]1[C:25](=[O:26])[CH:24]=[C:23]([CH3:2...
1
ClC1=CC=C(S1)B(O)O.C(C)(C)(C)OC(=O)N1CCN(CC1)C=1N=NC(=C(C1)I)C(F)(F)F>>C(C)(C)(C)OC(=O)N1CCN(CC1)C=1N=NC(=C(C1)C=1SC(=CC1)Cl)C(F)(F)F
5
COC1=CC=C(C=C1)C1=NN=C(N1C1=CC=C(C=C1)OC)CC>Br>C(C)C1=NN=C(N1C1=CC=C(C=C1)O)C1=CC=C(C=C1)O
3
C(C)(C)(C)N.OC1=C(C=CC=C1)C1=NN(C(=N1)C1=C(C=CC=C1)O)C1=CC=C(C(=O)O)C=C1>>C=1C=CC(=C(C1)C=2N=C(N(N2)C=3C=CC(=CC3)C(=O)O)C=4C=CC=CC4O)O.C(C)(C)(C)N
5
[H][H].[Cl:3][C:4]1[CH:5]=[CH:6][C:7](O)=[C:8]([CH:11]=1)[CH:9]=[O:10].[I:13]N1C(=O)CCC1=O>C(O)(=O)C.C(OCC)(=O)C>[Cl:3][C:4]1[CH:5]=[C:6]([I:13])[CH:7]=[C:8]([CH:11]=1)[CH:9]=[O:10]
1
BrC1=C(C=CC(=C1)F)[N+](=O)[O-].NC1=NC=C(C=C1C=1C=C2CCNC(C2=CC1)=O)Br>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+]>NC1=NC=C(C=C1C=1C=C2CCNC(C2=CC1)=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]
3
CCCC[CH:5]([CH2:8][O:9][C:10]([C:12]1[CH:13]=[CH:14][C:15]([N:18]([CH3:20])[CH3:19])=[CH:16][CH:17]=1)=[O:11])CC.C1[C:26]([C:27](OCC(O)CO)=[O:28])=CC=C(N)C=1.[CH3:36][CH2:37][O:38]C(C1C=CC(N(CCO)CCO)=CC=1)=O>>[CH3:5][CH2:8][O:9][C:10]([C:12]1[CH:17]=[CH:16][C:15]([N:18]([CH2:19][CH:37]([OH:38])[CH3:36])[CH2:20][CH:27](...
2
FC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)Cl.C[C@@H]1N(CCN(C1)CC1=CC=C(C=C1)NC)C(=O)OC(C)(C)C>>FC1=CC=C(C=C1)C1=CC=C(C=C1)S(=O)(=O)N(C1=CC=C(C=C1)CN1C[C@@H](N(CC1)C(=O)OC(C)(C)C)C)C
5
C1(CCCC1)C=1N(C2=NC=NC(=C2N1)C(=O)OC)CC1=CC=C(C=C1)OC>C1CCCO1.CO[H].Cl.[OH-].[Na+]>C1(CCCC1)C=1N(C2=NC=NC(=C2N1)C(=O)O)CC1=CC=C(C=C1)OC
3
FCCOC1=C(C(=O)N[C@@H]2CC[C@H](CC2)C(F)(F)F)C=C(C(=N1)NC)[N+](=O)[O-]>>NC=1C(=NC(=C(C(=O)N[C@@H]2CC[C@H](CC2)C(F)(F)F)C1)OCCF)NC
5
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([C:11]([OH:13])=O)=[CH:5]2.O.ON1C2C=CC=CC=2N=N1.Cl.CN(C)CCCN=C=NCC.FC(F)(F)C(O)=O.[CH3:44][N:45]1[CH2:50][CH2:49][C:48]2[N:51]=[C:52]([C:54]([NH:56][C@@H:57]3[CH2:62][CH2:61][CH2:60][CH2:59][C@H:58]3[NH2:63])=[O:55])[S:53][C:47]=2[CH2:46]1.Cl>CN(C)C=O.C(N(CC)C...
1
[F:1][C:2]1[CH:25]=[CH:24][C:5]([CH2:6][N:7]2[CH2:16][CH2:15][C:14]3[C:9](=[C:10]([OH:22])[C:11](=[O:21])[NH:12][C:13]=3[C:17]([O:19]C)=[O:18])[C:8]2=[O:23])=[CH:4][CH:3]=1.CNC>CO>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][N:7]2[CH2:16][CH2:15][C:14]3[C:9](=[C:10]([OH:22])[C:11](=[O:21])[NH:12][C:13]=3[C:17]([OH:19])=[O:18]...
1
[N+](=O)([O-])C1=CC=C(C(=O)NC2=C(C(=O)O)C=CC(=C2)CCC2=CC=CC=C2)C=C1>CO[H].[HH].C(C)(=O)OCC.[Pd]>NC1=CC=C(C(=O)NC2=C(C(=O)O)C=CC(=C2)CCC2=CC=CC=C2)C=C1
3
OC=1C=C(C(=O)OCC)C=CC1O>C1(=CC=CC=C1)C.CC(=O)C.P(Cl)(Cl)Cl>CC1(OC2=C(O1)C=CC(=C2)C(=O)OCC)C
3
Br[CH2:2][C:3]1[N:4]=[C:5]([O:20][CH2:21][CH2:22][CH3:23])[C:6]2[N:11]=[C:10]([C:12]3[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:13]=3[Cl:19])[O:9][C:7]=2[N:8]=1.[NH:24]1[CH2:29][CH2:28][O:27][CH2:26][CH2:25]1.C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O.ClCCl>[Cl:19][C:13]1[CH:14]=[CH:15][C:16]([F:18])=[CH:17][C:12]=1[C:10]1[O:9]...
1
C(OC(=O)[NH:7][C:8]1[O:9][CH2:10][C:11]([F:35])([F:34])[C@:12]([C:15]2[CH:20]=[C:19]([NH:21][CH:22]3[C:30]4[N:29]=[CH:28][C:27]([C:31]#[N:32])=[CH:26][C:25]=4[CH2:24][CH2:23]3)[CH:18]=[CH:17][C:16]=2[F:33])([CH3:14])[N:13]=1)(C)(C)C.Cl.C(=O)(O)[O-].[Na+]>>[NH2:7][C:8]1[O:9][CH2:10][C:11]([F:34])([F:35])[C@:12]([C:15]2[...
1
[O:1]=[C:2]1[CH2:10][CH:9]2[CH2:11][CH:3]1[CH:4]1[CH:8]2[CH2:7][CH2:6][CH2:5]1.[CH3:12][O-:13].[Na+].O>C1CCCCC1>[CH:12]([C:9]1[CH:8]=[CH:4][C:3]([CH:11]=[C:10]2[CH:9]3[CH2:11][CH:3]([CH:4]4[CH:8]3[CH2:7][CH2:6][CH2:5]4)[C:2]2=[O:1])=[CH:2][CH:10]=1)=[O:13]
1
ClC1=NC(=CN=C1)C(F)(F)F.C(C=C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)N>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(C=C)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC1=NC(=CN=C1)C(F)(F)F
3
NO.C(C1=CC=CC=C1)(=O)N1C2=C(OCC1)C=CC(=C2)C(=O)OC>C1CCCO1.CO[H].[OH-].[Na+]>C(C1=CC=CC=C1)(=O)N1C2=C(OCC1)C=CC(=C2)C(=O)NO
3
OS(O)(=O)=O.[CH2:6]([O:8][C:9](=[O:40])[C:10](=O)[CH2:11][S:12][C:13]([C:15]1[CH:16]=[C:17]2[C:21](=[CH:22][CH:23]=1)[N:20]([CH3:24])[C:19]1[N:25]([CH3:38])[C:26](=[O:37])[C:27]([C:29]3[CH:34]=[CH:33][C:32]([Cl:35])=[CH:31][C:30]=3[Cl:36])=[CH:28][C:18]2=1)=[NH:14])[CH3:7].[OH-].[Na+]>O>[CH2:6]([O:8][C:9]([C:10]1[N:14]...
1
OC(C)(C)C1CCNCC1.CS(=O)(=O)OC(C)C1=CC=C2OCCN3C=C(N=C3C2=C1)C1=NC=NN1C(C)C>>C(C)(C)N1N=CN=C1C=1N=C2N(CCOC3=C2C=C(C=C3)C(C)N3CCC(CC3)C(C)(C)O)C1
5
[NH2:1][C:2]1[CH:7]=[CH:6][C:5](Br)=[CH:4][C:3]=1[OH:9].[CH3:10][O:11][C:12]1[CH:13]=[N:14][CH:15]=[C:16](B2OC(C)(C)C(C)(C)O2)[CH:17]=1.O1CCOCC1.[F-].[Cs+]>O.C(P(C(C)(C)C)C1C=CC(N(C)C)=CC=1)(C)(C)C.Cl[Pd]Cl>[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:16]2[CH:15]=[N:14][CH:13]=[C:12]([O:11][CH3:10])[CH:17]=2)=[CH:4][C:3]=1[OH:9]
2
[Br:1][C:2]1[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=1.C1(C)C=C(C)C=C(C)C=1S(O[NH2:20])(=O)=O.C([O-])([O-])=O.[K+].[K+].[C:28]([O:32][CH2:33][CH3:34])(=[O:31])[C:29]#[CH:30]>CN(C=O)C>[Br:1][C:2]1[CH:7]=[CH:6][N:5]2[N:20]=[CH:30][C:29]([C:28]([O:32][CH2:33][CH3:34])=[O:31])=[C:4]2[CH:3]=1
2
[CH3:1][C:2]1([C:7]2[N:8]=[C:9]([CH2:12][N:13]3[N:17]=[C:16]([NH2:18])[CH:15]=[N:14]3)[S:10][CH:11]=2)[O:6]CCO1.[C:19]1([C:25]2[O:29][CH:28]=[N:27][C:26]=2[C:30](O)=[O:31])[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>>[C:2]([C:7]1[N:8]=[C:9]([CH2:12][N:13]2[N:17]=[C:16]([NH:18][C:30]([C:26]3[N:27]=[CH:28][O:29][C:25]=3[C:19...
1
[N+:1]([C:4]1[CH:5]=[N:6][NH:7][CH:8]=1)([O-:3])=[O:2].[C:9]1([CH:15]2[O:20][CH2:19][CH:18](O)[CH2:17][O:16]2)[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.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>[N+:1]([C:4]1[CH:5]=[N:6][N:7]([CH:18]2[CH2:17][O:16][CH:15]([C:9]3[CH:10]=[CH:11][CH:12]=[CH:1...
2
C(C1=CC=CC=C1)OC(NC1N=C(C2=C(N(C1=O)C)C=CC=C2)C2=CC=C(C=C2)Br)=O>>C(C1=CC=CC=C1)OC(NC1N=C(C2=C(N(C1=O)C)C=CC=C2)C2=CC=C(C=C2)C(N)=O)=O
5
C1CC(=O)NC1=O.C(CCC1=CC=CC=C1)(=O)O>O.BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrC(CC(=O)O)C1=CC=CC=C1
3
Cl.COC(C1=CC(=CC=C1)CCN)=O.ClC1=CC=C(C=C1)C(C=1C=C2C(=NC=NC2=CC1)Cl)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C(C=1C=C2C(=NC=NC2=CC1)NCCC=1C=C(C(=O)OC)C=CC1)C1=CC=C(C=C1)Cl
5
FC1=C(C=C2N=C(C(=NC2=C1)C1=CC=C(C=C1)F)N(C(C)C)C)C(=O)OC>>FC1=C(C=C2N=C(C(=NC2=C1)C1=CC=C(C=C1)F)N(C(C)C)C)C(=O)O
5
NC(C1=CC=CC=C1)C1=CC=CC=C1.BrCC1OC1C>CO[H]>C(C1=CC=CC=C1)(C1=CC=CC=C1)N1[C@@H]([C@@H](C1)O)C
3
[N+:1]([C:4]1[CH:17]=[CH:16][CH:15]=[CH:14][C:5]=1[C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[O:7])([O-])=O>C1COCC1.CO.O>[NH2:1][C:4]1[CH:17]=[CH:16][CH:15]=[CH:14][C:5]=1[C:6]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)=[O:7]
1
CC=1N=NC2=NC=NC(C21)=O>C(C)(C)N(C(C)C)CC.P(=O)(Cl)(Cl)Cl>ClC1=C2C(=NC=N1)NN=C2C
3
CS([C:5]1[N:10]=[C:9]([C:11]2[C:19]3[C:14](=[N:15][C:16]([NH:20][CH2:21][CH2:22][N:23]4[CH2:28][CH2:27][O:26][CH2:25][CH2:24]4)=[N:17][CH:18]=3)[NH:13][N:12]=2)[CH:8]=[CH:7][N:6]=1)(=O)=O.[C:29]([O:33][C:34](=[O:44])[NH:35][CH2:36][CH:37]([NH2:43])[C:38]1[CH:42]=[CH:41][S:40][CH:39]=1)([CH3:32])([CH3:31])[CH3:30]>>[C:2...
1
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:13]=[CH:12][C:11]([N+:14]([O-:16])=[O:15])=[CH:10][CH:9]=2)[CH2:4][CH2:3]1.Cl[CH2:18][S:19]([C:22]1[C:31]2[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=2)[CH:25]=[CH:24][CH:23]=1)(=[O:21])=[O:20].CC([O-])(C)C.[K+]>C1COCC1>[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:9]=[CH:10][C:11]([N+...
2
BrC=1C=C2C(=NC1)C(CC2)Cl.C1(CC1)NC(C1=CC=C(C=C1)C=1C=NNC1)=O>CC#N.O.[I-].C(C)(C)(C)[NH3+].C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C=C2C(=NC1)C(CC2)N2N=CC(=C2)C2=CC=C(C(=O)NC1CC1)C=C2
3
C(C)N1C(OCC1C(=O)OC)=O>>C(C)N1C(OCC1C(=O)O)=O
5
CI.BrC1=C(C=NC=C1)CO>O.C1CCCO1.[H-].[Na+]>BrC1=C(C=NC=C1)COC
3
B(O)(O)C1=C(C=C(C=C1)N(S(=O)(=O)C)C1=CC2=C(C(=C(O2)C2=CC=C(C=C2)Cl)C(=O)O)C=C1C1CC1)Cl>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>C(N)(=O)C1=C(OC2=C1C=C(C(=C2)N(S(=O)(=O)C)C2=CC(=C(C=C2)B(O)O)Cl)C2CC2)C2=CC=C(C=C2)Cl
3
ClC1=CC=CC(=N1)NC(C(C)(C)C)=O>N(C)(C)C=O.C1CCCO1.Cl.C(CCC)[Li].C(C)(=O)OCC>ClC1=CC=C(C(=N1)NC(C(C)(C)C)=O)C=O
3
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH:7]=[CH2:8].[CH2:9]([O:11][SiH:12]([O:16][CH2:17][CH3:18])[O:13][CH2:14][CH3:15])[CH3:10].CS(O)(=O)=O.C([Si](C=C)(C)O[Si](C)(C)C)=C>[Pt].C1(C)C=CC=CC=1>[CH2:8]([Si:12]([O:16][CH2:17][CH3:18])([O:13][CH2:14][CH3:15])[O:11][CH2:9][CH3:10])[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH...
1
[N+:1]([C:4]1[C:5]([CH:10](C(OCC)=O)C(OCC)=O)=[N:6][CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2].Cl.[OH-].[Na+]>CCOC(C)=O>[CH3:10][C:5]1[C:4]([N+:1]([O-:3])=[O:2])=[CH:9][CH:8]=[CH:7][N:6]=1
2
[Br:1][C:2]1[C:6]2[C:7]3[N:8]([CH:11]=[N:12][N:13]=3)C=[N:10][C:5]=2[S:4][CH:3]=1.CNCCN>CO.[Cl-].[NH4+]>[Br:1][C:2]1[C:6]([C:7]2[NH:8][CH:11]=[N:12][N:13]=2)=[C:5]([NH2:10])[S:4][CH:3]=1
1
[OH:1][C@H:2]1[C:7](=O)[CH2:6][C@H:5]([C:9]2[CH:14]=[CH:13][N:12]=[CH:11][C:10]=2[N+:15]([O-:17])=[O:16])[O:4][C@@H:3]1[CH:18]([CH3:20])[CH3:19].[CH2:21]([NH2:28])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.[Li+].[BH4-]>CO>[CH2:21]([NH:28][C@@H:7]1[CH2:6][C@H:5]([C:9]2[CH:14]=[CH:13][N:12]=[CH:11][C:10]=2[N+:15]([O-...
2
P(=S)(O)(O)OCCNCCCNCC.S([C:19](N1C(=O)CCC1=O)([CH2:23][CH2:24][CH2:25][C@H:26]1[C@@H:34]2[C@@H:29]([NH:30][C:31]([NH:33]2)=[O:32])[CH2:28][S:27]1)[C:20](=[O:22])[OH:21])(O)(=O)=O>>[OH:22][C:20]([CH2:19][CH2:23][CH2:24][CH2:25][C@H:26]1[C@@H:34]2[C@@H:29]([NH:30][C:31]([NH:33]2)=[O:32])[CH2:28][S:27]1)=[O:21]
2
C([Li:5])CCC.[CH3:6][C:7]1([CH3:15])[CH2:12][CH2:11][CH2:10][C:9]([CH3:14])([CH3:13])[NH:8]1>C1CCCCC1.O1CCCC1>[Li:5][N:8]1[C:9]([CH3:14])([CH3:13])[CH2:10][CH2:11][CH2:12][C:7]1([CH3:15])[CH3:6]
1
C([N:8]1[CH2:18][CH2:17][N:16]2[C@@H:10]([CH2:11][CH2:12][O:13][C:14]3[C:22]([CH3:23])=[CH:21][CH:20]=[CH:19][C:15]=32)[CH2:9]1)C1C=CC=CC=1>C(O)C(F)(F)F>[CH3:23][C:22]1[C:14]2[O:13][CH2:12][CH2:11][C@H:10]3[CH2:9][NH:8][CH2:18][CH2:17][N:16]3[C:15]=2[CH:19]=[CH:20][CH:21]=1
1
C(N)(=O)[C@H](C(C)C)NC(=O)C1=CC=2C(=NC=3CCC(CC3C2)C(C)(C)C)S1>c1ccncc1>C(#N)[C@H](C(C)C)NC(=O)C1=CC=2C(=NC=3CCC(CC3C2)C(C)(C)C)S1
3