Sulfuric Acid → Benzoic acid, 2-chloro-4-hydroxy-, 4-pentylphenyl ester
Reaction equation
[B:29]([OH:30])([OH:31])[OH:32].[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([OH:12])[cH:10][cH:11]1.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[Cl:13][c:14]1[c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][c:21]([OH:23])[cH:22]1.[S:24](=[O:25])(=[O:26])([OH:27])[OH:28]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([O:12][C:16]([c:15]2[c:14]([Cl:13])[cH:22][c:21]([OH:23])[cH:20][cH:19]2)=[O:17])[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-406745a184d14eda9b0dc43fcf2ddc75
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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