Acetic Acid → 1,1-Dioxo-3-butyl-3-ethyl-5-phenyl-7-bromo-8-[1'-carboxyethoxy]-2,3,4,5-tetrahydro-1,5-benzothiazepine
Reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[CH3:41][CH2:42][OH:43].[Na+:2].[O:3]=[S:4]1(=[O:36])[CH2:5][C:6]([CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:7][N:8]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:9]2[c:10]1[cH:11][c:12]([O:16][CH:17]([CH3:18])[C:19](=[O:20])[O:21][CH2:22][CH3:23])[c:13]([Br:15])[cH:14]2.[OH-:1]>>[O:3]=[S:4]1(=[O:36])[CH2:5][C:6]([CH2:30][CH3:31])([CH2:32][CH2:33][CH2:34][CH3:35])[CH2:7][N:8]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:9]2[c:10]1[cH:11][c:12]([O:16][CH:17]([CH3:18])[C:19](=[O:20])[OH:21])[c:13]([Br:15])[cH:14]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4973288117c342e598903bdbd7b8cd03
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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