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Dataset #87

[CH2:1]([OH:23])[C@H:2]1[O:7][C@H:6]([O:8][C@:9]2([CH2:18][OH:19])[O:13][C@H:12]([CH2:14][OH:15])[C@@H:11]([OH:16])[C@@H:10]2[OH:17])[C@H:5]([OH:20])[C@@H:4]([OH:21])[C@@H:3]1[OH:22]
Reaction #452448
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:25][C:1]([CH2:4][CH2:5][C:6]([C:8]1[CH:13]=[CH:12][C:11]([C:14]([C:16]2([OH:22])[CH2:21][CH2:20][CH2:19][CH2:18][CH2:17]2)=[O:15])=[CH:10][CH:9]=1)=[O:7])=[O:2]
Reaction #452449
Yield 94.0%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:9][C:8]1[CH:7]=[C:1]([C:2]([CH3:5])([CH3:4])[CH3:3])[NH:12][N:11]=1
Reaction #452450
Yield 96.4%DOI: 10.6084/m9.figshare.5104873.v1
[C:3]([O-:22])(=[O:21])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]
Reaction #452451
DOI: 10.6084/m9.figshare.5104873.v1
[C:3]([O-:22])(=[O:21])[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]
Reaction #452452
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7]([O:17][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:8]
Reaction #452453
DOI: 10.6084/m9.figshare.5104873.v1
[C:19]([NH:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][O:15][CH2:14][CH2:13][O:12][CH2:11][CH2:10][O:9][CH2:8][CH2:7][O:6][CH2:5][CH2:4][O:3][CH2:2][CH2:1][OH:16])([O:21][CH2:22][C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1)=[O:20]
Reaction #452454
Yield 56.4%DOI: 10.6084/m9.figshare.5104873.v1
[NH:1]1[C:51](=[O:52])[C@H:50]2[CH2:53][CH2:54][CH2:55][CH2:56][N:49]2[C:47](=[O:48])[C@@H:39]([CH2:40][C:41]2[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=2)[NH:38][C:36](=[O:37])[C@H:31]([CH2:32][C:33](=[O:34])[OH:35])[NH:30][C:28](=[O:29])[CH2:27][NH:26][C:24](=[O:25])[C@@H:2]1[CH2:3][CH2:4][CH2:5][NH:6][C:7](=[NH:8])[NH2:23]
Reaction #452455
DOI: 10.6084/m9.figshare.5104873.v1
[C:21]([CH:6]1[CH2:7][C:8]2([CH2:13][NH2:14])[CH2:11][CH2:12][C:5]1([C:2]([OH:4])=[O:3])[CH2:10][CH2:9]2)([O:20][C:17]([CH3:19])([CH3:18])[CH3:16])=[O:22]
Reaction #452456
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([CH:8]1[CH2:13][C:12]2([CH2:16][NH2:17])[CH2:11][CH2:10][C:9]1([C:18]([NH2:23])=[O:20])[CH2:15][CH2:14]2)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2]
Reaction #452457
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([CH:8]1[CH2:13][C:12]2([CH2:16][NH2:17])[CH2:11][CH2:10][C:9]1([C:18]#[N:20])[CH2:15][CH2:14]2)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2]
Reaction #452458
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([CH:8]1[CH2:13][C:12]2([CH2:16][NH2:17])[CH2:11][CH2:10][C:9]1([CH2:18][NH2:19])[CH2:15][CH2:14]2)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2]
Reaction #452459
DOI: 10.6084/m9.figshare.5104873.v1
[Li+:13]
Reaction #452460
DOI: 10.6084/m9.figshare.5104873.v1
[N:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[NH:4][CH2:3][CH2:2][CH2:1][NH2:5]
Reaction #452461
Yield 76.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:14][C:15]1[CH:22]=[CH:21][C:18]([CH2:19][N:9]([C:4]2[CH:5]=[CH:6][CH:7]=[CH:8][N:3]=2)[CH2:10][CH2:11][CH2:12][NH2:13])=[CH:17][CH:16]=1
Reaction #452462
Yield 86.8%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:19]=[CH:18][C:5]([CH2:6][N:7]([CH2:8][CH2:9][CH2:10][N:11]=[C:20]=[S:21])[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=2)=[CH:4][CH:3]=1
Reaction #452463
Yield 88.3%DOI: 10.6084/m9.figshare.5104873.v1
[C:44]1([C:28]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)([C:38]2[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=2)[N:29]2[CH:33]=[C:32]([CH2:34][CH2:35][CH2:36][NH:37][C:18]([NH:17][CH2:16][CH2:15][CH2:14][N:7]([CH2:6][C:5]3[CH:20]=[CH:21][C:2]([Br:1])=[CH:3][CH:4]=3)[C:8]3[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=3)=[S:19])[N:31]=[CH:30]2)[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=1
Reaction #452464
Yield 80.0%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:50]
Reaction #452465
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:19]=[CH:18][C:5]([CH2:6][N:7]([CH2:8][CH2:9][CH2:10][NH:11][C:30]([NH:29][CH2:28][CH2:27][CH2:26][N:23]2[CH2:24][CH2:25][O:20][CH2:21][CH2:22]2)=[S:31])[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=2)=[CH:4][CH:3]=1
Reaction #452466
Yield 76.0%DOI: 10.6084/m9.figshare.5104873.v1
[N:11]1[C:12]2[C:10](=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:9]=[CH:8][C:7]=1[NH:4][CH2:3][CH2:2][CH2:1][NH2:5]
Reaction #452467
Yield 82.0%DOI: 10.6084/m9.figshare.5104873.v1
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