Acetic Acid → 2-(4-methoxyphenyl)-3-hydroxy-8-chloro-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Reaction equation
[BH4-:10].[C:39]([OH:40])(=[O:41])[CH3:42].[Cl:12][c:13]1[cH:14][c:15]2[c:16]([cH:32][cH:33]1)[NH:17][C:18](=[O:31])[C:19](=[O:30])[CH:20]([c:22]1[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]1)[S:21]2.[NH2:1][CH:2]([C:3]([OH:4])=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9].[Na+:11].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[Cl:12][c:13]1[cH:14][c:15]2[c:16]([cH:32][cH:33]1)[NH:17][C:18](=[O:31])[CH:19]([OH:30])[CH:20]([c:22]1[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]1)[S:21]2Participants
7
Sources & evidence
- ORD record
- ord-e4a98b887d7c4428bd57e8063ef62011
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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