Water → 2-((5,6-Dimethyl-1-(phenylcarbonyl)benzimidazole-2-ylthio)methyl)benzoic acid t-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[c:8]([CH2:13][S:14][c:15]2[nH:16][c:17]3[c:18]([n:19]2)[cH:20][c:21]([CH3:25])[c:22]([CH3:24])[cH:23]3)[cH:9][cH:10][cH:11][cH:12]1)=[O:26].[C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[Cl:42].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH:44]([Cl:45])([Cl:46])[Cl:47].[OH2:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[c:8]([CH2:13][S:14][c:15]2[n:16]([C:34]([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)=[O:41])[c:17]3[c:18]([n:19]2)[cH:20][c:21]([CH3:25])[c:22]([CH3:24])[cH:23]3)[cH:9][cH:10][cH:11][cH:12]1)=[O:26]Participants
6
Sources & evidence
- ORD record
- ord-4badd6edefeb4246907203a930a8fcb8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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