Acetic Acid → 1,1-Dioxo-3-butyl-3-ethyl-5-phenyl-7-bromo-8-carboxymethoxy-2,3,4,5-tetrahydro-1,5-benzothiazepine
Reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][CH2:41][OH:42].[Na+:35].[O:1]=[S:2]1(=[O:33])[CH2:3][C:4]([CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:5][N:6]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:7]2[c:8]1[cH:9][c:10]([O:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[c:11]([Br:13])[cH:12]2.[OH-:34]>>[O:1]=[S:2]1(=[O:33])[CH2:3][C:4]([CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:5][N:6]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:7]2[c:8]1[cH:9][c:10]([O:14][CH2:15][C:16](=[O:17])[OH:18])[c:11]([Br:13])[cH:12]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4a485f12dcde4db3a2a10a86b3c91ca6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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