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Dataset #274

[N+:13]([C:5]1[CH:4]=[C:3]([OH:2])[CH:8]=[C:7]([C:9]([F:10])([F:11])[F:12])[CH:6]=1)([O-:15])=[O:14]
Reaction #1265385
Yield 42.7%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:4]1[CH:5]=[C:6]([OH:14])[CH:7]=[C:8]([C:10]([F:11])([F:12])[F:13])[CH:9]=1
Reaction #1265386
Yield 87.5%DOI: 10.6084/m9.figshare.5104873.v1
[OH:12][C:4]1[CH:3]=[C:2]([NH:1][C:14]([NH2:15])=[NH:13])[CH:7]=[C:6]([C:8]([F:9])([F:10])[F:11])[CH:5]=1
Reaction #1265387
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:16][O:8][C:6]([C:2]1[S:1][CH:5]=[CH:4][N:3]=1)([O:10][CH3:9])[CH3:7]
Reaction #1265388
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[S:6][C:5]([C:7](=[O:9])[CH3:8])=[N:4][CH:3]=1
Reaction #1265389
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[S:6][C:5]([C:7]2[CH:8]=[CH:34][N:31]=[C:29]([NH:28][C:20]3[CH:21]=[C:22]([O:26][CH3:27])[C:23]([O:24][CH3:25])=[C:18]([O:17][CH3:16])[CH:19]=3)[N:30]=2)=[N:4][CH:3]=1
Reaction #1265390
Yield 35.0%DOI: 10.6084/m9.figshare.5104873.v1
[N:26]1([C:2]2[S:6][C:5]([C:7]3[CH:12]=[CH:11][N:10]=[C:9]([NH:13][C:14]4[CH:19]=[C:18]([O:20][CH3:21])[C:17]([O:22][CH3:23])=[C:16]([O:24][CH3:25])[CH:15]=4)[N:8]=3)=[N:4][CH:3]=2)[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1
Reaction #1265391
Yield 25.0%DOI: 10.6084/m9.figshare.5104873.v1
[N:10]1([C:2]2[S:6][C:5]([C:7](=[O:9])[CH3:8])=[N:4][CH:3]=2)[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1
Reaction #1265392
Yield 68.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][N:2]([CH3:11])[C:3]1[S:7][C:6]([C:8]2[CH:9]=[CH:12][N:39]=[C:37]([NH:36][C:31]3[CH:30]=[C:29]([CH3:28])[CH:34]=[C:33]([CH3:35])[CH:32]=3)[N:38]=2)=[N:5][CH:4]=1
Reaction #1265393
DOI: 10.6084/m9.figshare.5104873.v1
[S:6]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[N:8]=[C:7]1[C:18](=[O:20])[CH3:19]
Reaction #1265394
Yield 39.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:13]([C:4]1[S:5][C:6]([CH3:7])=[C:2]([CH3:1])[N:3]=1)(=[O:15])[CH3:14]
Reaction #1265395
Yield 66.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:8][CH:7]([CH3:9])[CH2:6][C@H:2]([O:1][CH2:3][CH2:2][CH2:6][CH2:7][CH3:8])[C:3]([O:5][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])=[O:4]
Reaction #1265396
Yield 4.0%DOI: 10.6084/m9.figshare.5104873.v1
[O:7]=[C:6]([NH:8][CH:9]1[N:15]=[C:14]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=2)[C:13]2[CH:22]=[CH:23][CH:24]=[CH:25][C:12]=2[N:11]([CH3:26])[C:10]1=[O:27])[C@H:5]([CH2:4][CH:1]1[CH2:2][CH2:3]1)[CH2:28][CH2:29][CH2:30][CH2:31][CH3:32]
Reaction #1265397
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:2]1[N:11]=[C:10]([O:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[C:9]2[C:4](=[N:5][CH:6]=[C:7]([CH:41]=[CH:42][C:43]3[CH:48]=[CH:47][CH:46]=[CH:45][CH:44]=3)[N:8]=2)[N:3]=1
Reaction #1265398
Yield 72.9%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:10][C:5]1[N:4]=[C:3]([O:13][CH2:11][CH3:12])[CH:8]=[C:7]([NH2:9])[N:6]=1
Reaction #1265399
Yield 72.0%DOI: 10.6084/m9.figshare.5104873.v1
[N:12]([C:5]1[C:6]([O:8][CH2:9][CH3:10])=[N:7][C:2]([NH2:1])=[N:3][C:4]=1[NH2:11])=[O:13]
Reaction #1265400
Yield 68.3%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:10][C:6]1[N:5]=[C:4]([O:11][CH2:12][CH3:13])[C:3]([NH2:1])=[C:8]([NH2:9])[N:7]=1
Reaction #1265401
Yield 61.1%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:2]1[N:7]=[C:6]([O:8][CH2:9][CH3:10])[C:5]2[C:4](=[N:12][CH:13]=[CH:15][N:11]=2)[N:3]=1
Reaction #1265402
Yield 206.4%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:2]1[N:11]=[C:10]([O:12][CH2:13][CH3:14])[C:9]2[C:4](=[N:5][CH:6]=[CH:7][N:8]=2)[N+:3]=1[O-:15]
Reaction #1265403
Yield 32.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C:2]1[N:7]=[C:6]([OH:8])[C:5]([N:14]=[O:15])=[C:4]([NH2:9])[N:3]=1
Reaction #1265404
Yield 97.3%DOI: 10.6084/m9.figshare.5104873.v1
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