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Dataset #12

[Cl:1][C:2]1[CH:3]=[C:4]([C@@H:12]([CH2:29][CH:30]2[CH2:34][CH2:33][CH2:32][CH2:31]2)[C:13]([NH:15][C:16]2[CH:21]=[N:20][C:19]([C@H:22]([OH:23])[CH2:26][OH:25])=[CH:18][N:17]=2)=[O:14])[CH:5]=[CH:6][C:7]=1[S:8]([CH3:11])(=[O:10])=[O:9]
Reaction #40282
Yield 88.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:42][O:41][C:38]1[CH:39]=[CH:40][C:35]([CH:34]2[O:7][CH:6]([C:5]([NH:4][CH2:3][CH2:2][C:1]([OH:15])=[O:14])=[O:13])[C:8]([CH3:10])([CH3:9])[CH2:11][O:12]2)=[CH:36][CH:37]=1
Reaction #40283
Yield 51.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:16]([O:12][C:11](=[O:13])[CH2:10][CH2:9][NH:8][C:1]([O:3][C:4]([CH3:6])([CH3:7])[CH3:5])=[O:2])[C:15]#[CH:14]
Reaction #40284
DOI: 10.6084/m9.figshare.5104873.v1
[C:11]([NH2:17])(=[O:13])[C:10]#[CH:9]
Reaction #40285
DOI: 10.6084/m9.figshare.5104873.v1
[C:10]([NH:1][CH2:2][CH2:3][C:4]([OH:6])=[O:5])(=[O:12])[CH3:11]
Reaction #40286
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:3][C:4](=[O:8])[CH2:5][O:6][NH:7][C:9](=[O:14])[CH2:10][CH2:11][C:12]#[CH:13])[CH3:2]
Reaction #40287
DOI: 10.6084/m9.figshare.5104873.v1
[O:30]=[C:29]1[N:24]([O:6][C:1](=[O:7])[CH2:2][CH2:3][C:4]#[CH:5])[N:25]=[N:26][C:27]2[CH:34]=[CH:33][CH:32]=[CH:31][C:28]1=2
Reaction #40288
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:8][Si:19]([C:20]#[CH:21])([CH:15]([CH3:16])[CH3:17])[CH:23]([CH3:25])[CH3:24])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #40289
Yield 41.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:28][O:27][C:14]1[C:13]([O:12][CH3:11])=[CH:18][C:17]([CH2:19][O:20][C:21]([NH:1][CH:2]([CH3:7])[CH2:3][C:4]([OH:6])=[O:5])=[O:22])=[C:16]([N+:24]([O-:26])=[O:25])[CH:15]=1
Reaction #40290
Yield 36.0%DOI: 10.6084/m9.figshare.5104873.v1
[O:13]=[C:12]1[CH:11]=[CH:10][C:9](=[O:14])[N:8]1[C:5]1[CH:4]=[CH:3][C:2]([O:1][C:28](=[O:29])[CH2:27][CH:26]([NH:25][C:23]([O:22][CH2:21][C:20]2[CH:32]=[C:33]([O:34][CH3:35])[C:17]([O:16][CH3:15])=[CH:18][C:19]=2[N+:36]([O-:38])=[O:37])=[O:24])[CH3:31])=[CH:7][CH:6]=1
Reaction #40291
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:60][C@@:45]12[C@@H:41]([OH:40])[CH2:42][CH2:43][C@H:44]1[C@@H:49]1[CH2:50][CH2:51][C:52]3[C@@:58]([CH3:59])([C@H:48]1[CH2:47][CH2:46]2)[CH2:57][CH2:56][C:54](=[O:55])[CH:53]=3
Reaction #40292
DOI: 10.6084/m9.figshare.5104873.v1
[C:12]([C:16]1[CH:17]=[CH:18][C:19]([S:22][CH2:3][CH2:4][NH2:5])=[CH:20][CH:21]=1)([CH3:15])([CH3:13])[CH3:14]
Reaction #40293
Yield 74.1%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:15][C:5]1[CH:6]=[C:7]([C:11]([CH3:13])([CH3:12])[CH3:14])[CH:8]=[C:9]([CH3:10])[C:4]=1[NH2:1]
Reaction #40294
Yield 93.2%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:22]
Reaction #40295
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:8][C:9]([NH:11][C@@H:12]([CH2:16][C:17]([CH3:20])([CH3:19])[CH3:18])[C:13](=[O:15])[CH3:14])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #40296
DOI: 10.6084/m9.figshare.5104873.v1
[CH:15]([CH:13]1[CH2:14][CH2:9][C:10]2[N:5]=[C:3]([NH:2][C:1]([NH2:7])=[NH:6])[S:4][C:11]=2[CH2:12]1)([CH3:17])[CH3:16]
Reaction #40297
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([CH:8]1[CH2:9][CH2:10][CH2:11][C:6](=[O:12])[CH2:7]1)[CH2:2][CH2:3][CH3:4]
Reaction #40298
DOI: 10.6084/m9.figshare.5104873.v1
[Br:12][CH:8]1[CH2:9][CH2:10][CH:5]([CH2:1][CH2:2][CH2:3][CH3:4])[CH2:6][C:7]1=[O:11]
Reaction #40299
DOI: 10.6084/m9.figshare.5104873.v1
[C:8]([CH:12]1[CH2:17][CH2:16][CH2:15][CH:14]([Cl:28])[C:13]1=[O:18])([CH3:11])([CH3:9])[CH3:10]
Reaction #40300
Yield 81.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1([CH3:9])[CH2:7][CH2:6][C:5](=[O:8])[CH2:4][CH2:3]1
Reaction #40301
Yield 94.0%DOI: 10.6084/m9.figshare.5104873.v1
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