Benzene → tert-Butyl 3-methyl-2-nitrobenzoate
Reaction equation
[C:25]([CH3:26])([CH3:27])([CH3:28])[OH:29].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11][c:12]1[CH3:13].[S:14]([Cl:15])([Cl:16])(=[O:17])=[O:18].[cH:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[cH:30]1[cH:31][cH:32][n:33][cH:34][cH:35]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:6]([O:7][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:8])[cH:9][cH:10][cH:11][c:12]1[CH3:13]Participants
6
Sources & evidence
- ORD record
- ord-eee7acafc0a649deb8d4147eba08fae2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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