Benzene → 5-Ethoxycarbonyl-2-isobutyrylamino-4,6-dimethylbenzoic acid
Reaction equation
[C:24]([CH:25]([CH3:26])[CH3:27])(=[O:28])[Cl:29].[ClH:30].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([CH3:17])[c:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:9]([CH3:11])[cH:10]1.[cH:18]1[cH:19][cH:20][n:21][cH:22][cH:23]1.[cH:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[OH:6])[c:7]([CH3:17])[c:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:9]([CH3:11])[cH:10]1)[C:24]([CH:25]([CH3:26])[CH3:27])=[O:28]Participants
6
Sources & evidence
- ORD record
- ord-5a10d17196d74f5ca4682ac76c34c78f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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