Water → 2-((5,6-Dimethylbenzimidazole-2-ylthio)methyl)benzoic acid t-butyl ester
Reaction equation
[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([c:14]1[c:15]([CH2:20][CH2:21][Br:22])[cH:16][cH:17][cH:18][cH:19]1)=[O:23].[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:24][c:25]1[cH:26][c:27]2[c:28]([n:29][c:30]([SH:32])[nH:31]2)[cH:33][c:34]1[CH3:35].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[OH2:36]>>[C:8]([CH3:9])([CH3:10])([CH3:11])[O:12][C:13]([c:14]1[c:15]([CH2:20][S:32][c:30]2[n:29][c:28]3[c:27]([cH:26][c:25]([CH3:24])[c:34]([CH3:35])[cH:33]3)[nH:31]2)[cH:16][cH:17][cH:18][cH:19]1)=[O:23]Participants
6
Sources & evidence
- ORD record
- ord-5f510cbf8b3c44e39f65763a21571a29
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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