Chloride → 4-Bromoacetyl-7-methoxy-2-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzothiazepine
Reaction equation
[Br:1][CH2:2][C:3](=[O:4])[N:5]1[CH2:6][CH:7]([Cl:18])[S:8][c:9]2[c:10]([cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[CH2:11]1.[CH3:19][O:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[Cl-:27]>>[Br:1][CH2:2][C:3](=[O:4])[N:5]1[CH2:6][CH:7]([c:24]2[cH:23][cH:22][c:21]([O:20][CH3:19])[cH:26][cH:25]2)[S:8][c:9]2[c:10]([cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[CH2:11]1Participants
4
Sources & evidence
- ORD record
- ord-b845fb6ee45144aeb46cf7251ec4ec43
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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