Acetic Acid → 3-Bromo-2-chloro-5-methylbenzoic acid
Reaction equation
[CH3:19][C:20](=[O:21])[OH:22].[Cl-:18].[ClH:17].[N:1]([O-:2])=[O:3].[NH2:5][c:6]1[c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([CH3:16])[cH:13][c:14]1[Br:15].[Na+:4].[OH2:23]>>[c:6]1([Cl:17])[c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([CH3:16])[cH:13][c:14]1[Br:15]Participants
8
Sources & evidence
- ORD record
- ord-d726c0d66ee942f2a5c0be4cdbdd8726
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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