Ethanol → 3-[3-Butoxy-4-[3-[methyl(pentylcarbamoyl)amino]phenyl]phenyl]-2-methylprop-2-enoic acid
Reaction equation
[CH2:3]([CH2:4][CH2:5][CH3:6])[O:7][c:8]1[c:9](-[c:22]2[cH:23][c:24]([N:28]([C:29](=[O:30])[NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH3:37])[cH:25][cH:26][cH:27]2)[cH:10][cH:11][c:12]([CH:14]=[C:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[CH3:21])[cH:13]1.[CH3:38][CH2:39][OH:40].[Na+:2].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:1]>>[CH2:3]([CH2:4][CH2:5][CH3:6])[O:7][c:8]1[c:9](-[c:22]2[cH:23][c:24]([N:28]([C:29](=[O:30])[NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH3:37])[cH:25][cH:26][cH:27]2)[cH:10][cH:11][c:12]([CH:14]=[C:15]([C:16](=[O:17])[OH:18])[CH3:21])[cH:13]1Participants
6
Sources & evidence
- ORD record
- ord-223e7898b59c421a9476f14505a2dc26
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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