Acetic Acid → 3-[(Ethyl-methyl-amino)-methyl]-5-methyl-benzoic acid
Reaction equation
[C:13]([OH:14])(=[O:15])[CH3:16].[CH2:17]([CH3:18])[NH:19][CH3:20].[CH3:24][N:25]1[CH2:26][CH2:27][CH2:28][C:29]1=[O:30].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([CH3:12])[cH:11]1.[Cl:21][CH2:22][Cl:23]>>[CH2:1]([c:3]1[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([CH3:12])[cH:11]1)[N:19]([CH2:17][CH3:18])[CH3:20]Participants
6
Sources & evidence
- ORD record
- ord-c0f8769e65584d87a2fbe96c9b489851
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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