Hexane → 4,5-Dichloro-2-(2-phenyl-propionylamino)-benzoic acid methyl ester
Reaction equation
[CH3:16][O:17][C:18]([c:19]1[c:20]([NH2:27])[cH:21][c:22]([Cl:26])[c:23]([Cl:25])[cH:24]1)=[O:28].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[S:12]([Cl:13])([Cl:14])=[O:15].[c:1]1([CH:7]([C:8](=[O:9])[OH:10])[CH3:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH:7]([C:8](=[O:10])[NH:27][c:20]2[c:19]([C:18]([O:17][CH3:16])=[O:28])[cH:24][c:23]([Cl:25])[c:22]([Cl:26])[cH:21]2)[CH3:11])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-6340051348a64720a3faca35482bf02c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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