Benzene → 2-(4-Chlorophenylamino)-3-methylbutanoic acid
Reaction equation
[CH2:28]([N+:29]([CH2:30][CH3:31])([CH2:32][CH3:33])[CH2:34][CH3:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl-:27].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:17])[O:10][C:11](=[O:16])[CH:12]2[CH:13]([CH3:14])[CH3:15])[cH:6][cH:7]1.[K:18][C:19]#[N:20].[cH:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][CH:12]([C:11](=[O:10])[OH:16])[CH:13]([CH3:14])[CH3:15])[cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-bfcc22186bbf4a8b84307bb17d15f9fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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