Acetic Acid → Benzoic acid, 3-bromo-4-chloro-2-methyl-, ethyl ester
Reaction equation
[BrH:25].[CH3:19][CH2:20][O:21][C:22](=[O:23])[CH3:24].[CH3:31][C:32](=[O:33])[OH:34].[Cu:36][Br:37].[N:1]([O-:2])=[O:3].[NH2:5][c:6]1[c:7]([CH3:18])[c:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:14][cH:15][c:16]1[Cl:17].[Na+:4].[OH2:35].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[c:6]1([Br:25])[c:7]([CH3:18])[c:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[cH:14][cH:15][c:16]1[Cl:17]Participants
10
Sources & evidence
- ORD record
- ord-89544d8234844cdc8c655b184fc3b2c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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