Acetic Acid → {3-[2-(2-Chloroacetamido)-2-methylpropyl]phenyl}acetic acid
Reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[Cl:21][CH2:22][C:23]#[N:24].[OH2:25].[OH:6][C:7]([CH2:8][c:9]1[cH:10][c:11]([CH2:15][C:16](=[O:17])[OH:18])[cH:12][cH:13][cH:14]1)([CH3:19])[CH3:20].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[C:7]([CH2:8][c:9]1[cH:10][c:11]([CH2:15][C:16](=[O:17])[OH:18])[cH:12][cH:13][cH:14]1)([CH3:19])([CH3:20])[NH:24][C:23]([CH2:22][Cl:21])=[O:25]Participants
6
Sources & evidence
- ORD record
- ord-c90a22ab29ac48cdbfe8c7a500e753d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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