Acetic Acid → 3-[3-hydroxy-4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-benzyl]-3,4-dihydro-1H-benzo[1,4]diazepine-2,5-dione
Reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH2:12][CH:13]2[C:14](=[O:25])[NH:15][c:16]3[c:17]([cH:21][cH:22][cH:23][cH:24]3)[C:18](=[O:20])[NH:19]2)[cH:26][cH:27][c:28]1[N:29]1[S:30](=[O:35])(=[O:36])[NH:31][C:32](=[O:34])[CH2:33]1.[CH2:41]([OH:42])[CH3:43]>>[OH:8][c:9]1[cH:10][c:11]([CH2:12][CH:13]2[C:14](=[O:25])[NH:15][c:16]3[c:17]([cH:21][cH:22][cH:23][cH:24]3)[C:18](=[O:20])[NH:19]2)[cH:26][cH:27][c:28]1[N:29]1[S:30](=[O:35])(=[O:36])[NH:31][C:32](=[O:34])[CH2:33]1Participants
4
Sources & evidence
- ORD record
- ord-8834716fdbce46d2a2e21338c93d90c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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