Chloride → 1-(3-bromopropyl)-3-(2-fluorophenyl)-3,4-dihydro-1H-2,1,3-benzothiadiazine 2,2-dioxide
Reaction equation
[Br:20][CH2:21][CH2:22][CH2:23][OH:24].[Cl-:45].[F:1][c:2]1[c:3]([N:8]2[S:9](=[O:18])(=[O:19])[NH:10][c:11]3[c:12]([cH:14][cH:15][cH:16][cH:17]3)[CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:44].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1>>[F:1][c:2]1[c:3]([N:8]2[S:9](=[O:18])(=[O:19])[N:10]([CH2:23][CH2:22][CH2:21][Br:20])[c:11]3[c:12]([cH:14][cH:15][cH:16][cH:17]3)[CH2:13]2)[cH:4][cH:5][cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-06428ff05fbf410bafb9857134e9603f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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