Bromide ion → 2-[[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole
Reaction equation
[Br-:44].[CH3:1][c:2]1[c:3]([CH2:14][S:15][c:16]2[n:17][c:18]3[c:19]([nH:20]2)[cH:21][c:22]([F:32])[c:23]([N:25]2[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]2)[cH:24]3)[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13].[CH:46]([Cl:47])([Cl:48])[Cl:49].[Cl:33][c:34]1[cH:35][cH:36][cH:37][c:38]([C:39]([O:40][OH:42])=[O:41])[cH:43]1.[K+:45]>>[CH3:1][c:2]1[c:3]([CH2:14][S:15]([c:16]2[n:17][c:18]3[c:19]([nH:20]2)[cH:21][c:22]([F:32])[c:23]([N:25]2[CH2:26][CH2:27][N:28]([CH3:31])[CH2:29][CH2:30]2)[cH:24]3)=[O:41])[n:4][cH:5][cH:6][c:7]1[O:8][CH2:9][C:10]([F:11])([F:12])[F:13]Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-2021ba8364544111a0e5257463462c32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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