Benzene → 3-Chlorobenzoic Acid
Reaction equation
[C:30](=[O:31])([OH:32])[O-:33].[CH3:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[Cl:14][c:15]1[cH:16][c:17]([C:21](=[O:22])[O:23][OH:24])[cH:18][cH:19][cH:20]1.[Cl:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Na+:29].[Na+:34].[S:25](=[O:26])([OH:27])[O-:28].[cH:1]1[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[Cl:14][c:15]1[cH:16][c:17]([C:21](=[O:22])[OH:23])[cH:18][cH:19][cH:20]1Participants
8
Sources & evidence
- ORD record
- ord-9dc10d7de3d349f2bd981f6e87b05041
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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