Acetic Acid → 2-Ethoxy-3-[4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]prop-2-enoic acid
Reaction equation
[CH2:3]([CH3:4])[O:5][C:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])=[CH:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([N:25]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH3:36])[cH:22][cH:23][cH:24]2)[cH:17][cH:18]1.[CH3:37][C:38](=[O:39])[OH:40].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Li+:1].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:2].[OH2:41]>>[CH2:3]([CH3:4])[O:5][C:6]([C:7](=[O:8])[OH:9])=[CH:12][c:13]1[cH:14][cH:15][c:16](-[c:19]2[cH:20][c:21]([N:25]([C:26](=[O:27])[NH:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH3:36])[cH:22][cH:23][cH:24]2)[cH:17][cH:18]1Participants
8
Sources & evidence
- ORD record
- ord-092661200d22476a864fbe8eeed2cbb3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…