Ethanol → 2-Nitro-5-(2,4,6-trichlorophenoxy)benzoic acid
Reaction equation
[CH3:27][CH2:28][OH:29].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][c:12]([O:15][c:16]2[c:17]([Cl:24])[cH:18][c:19]([Cl:23])[cH:20][c:21]2[Cl:22])[cH:13][cH:14]1.[Na+:26].[OH-:25].[OH2:30]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:11][c:12]([O:15][c:16]2[c:17]([Cl:24])[cH:18][c:19]([Cl:23])[cH:20][c:21]2[Cl:22])[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-3d3537152e1449fe9a6c79fd99d73c3c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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