Acetic Acid → 3-[4-[3-[Heptylcarbamoyl(methyl)amino]phenyl]phenyl]-2-methylprop-2-enoic acid
Reaction equation
[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH:26]=[C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH3:33])[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1)=[O:34].[CH3:35][OH:36].[CH3:43][C:44](=[O:45])[OH:46].[Na+:2].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:1].[OH2:42]>>[CH2:3]([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH3:9])[NH:10][C:11]([N:12]([CH3:13])[c:14]1[cH:15][c:16](-[c:20]2[cH:21][cH:22][c:23]([CH:26]=[C:27]([C:28](=[O:29])[OH:30])[CH3:33])[cH:24][cH:25]2)[cH:17][cH:18][cH:19]1)=[O:34]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-fea9d00342d343379238e67be9389b4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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