Bromide ion → 2-(Chloromethyl)-4-isopropyl-6-methoxybenzo[D]isothiazol-3(2H)-one 1,1-dioxide
Reaction equation
[Br-:40].[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[S:35]([Cl:36])([Cl:37])(=[O:38])=[O:39].[c:10]1([S:11][CH2:17][N:18]2[S:19](=[O:20])(=[O:21])[c:22]3[cH:23][c:24]([O:33][CH3:34])[cH:25][c:26]([CH:30]([CH3:31])[CH3:32])[c:27]3[C:28]2=[O:29])[cH:12][cH:13][cH:14][cH:15][cH:16]1.[c:1]1([S:2][CH2:3][Cl:9])[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[Cl:9][CH2:17][N:18]1[S:19](=[O:20])(=[O:21])[c:22]2[cH:23][c:24]([O:33][CH3:34])[cH:25][c:26]([CH:30]([CH3:31])[CH3:32])[c:27]2[C:28]1=[O:29]Participants
7
Sources & evidence
- ORD record
- ord-b8bd3bbea0904fa4b9b936a691c8b802
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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