Bromide ion → 1,1-Dioxo-3-butyl-3-ethyl-5-phenyl-7-bromo-8-[1'-phenyl-1'-ethoxycarbonylmethoxy]-2,3,4,5-tetrahydro-1,5-benzothiazepine
Reaction equation
[Br-:47].[Br:1][CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[C:14](=[O:15])([O-:16])[O-:17].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[CH3:65][C:66]#[N:67].[Na+:18].[Na+:19].[O:20]=[S:21]1(=[O:46])[CH2:22][C:23]([CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:24][N:25]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[c:26]2[c:27]1[cH:28][c:29]([OH:33])[c:30]([Br:32])[cH:31]2>>[CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:33][c:29]1[cH:28][c:27]2[c:26]([cH:31][c:30]1[Br:32])[N:25]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[CH2:24][C:23]([CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:22][S:21]2(=[O:20])=[O:46]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-70d0ddf144754a89a3b58cfda7eb56d1
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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