Citric Acid → 3-{4-[[(2',6'-Dimethylbiphenyl-3-yl)methyl](propyl)amino]phenyl}propanoic acid
Reaction equation
[CH3:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]([CH2:15][N:16]([c:17]3[cH:18][cH:19][c:20]([CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:21][cH:22]3)[CH2:29][CH2:30][CH3:31])[cH:12][cH:13][cH:14]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:48][OH:49].[Na+:33].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:32].[OH2:34].[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47]>>[CH3:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]([CH2:15][N:16]([c:17]3[cH:18][cH:19][c:20]([CH2:23][CH2:24][C:25](=[O:26])[OH:27])[cH:21][cH:22]3)[CH2:29][CH2:30][CH3:31])[cH:12][cH:13][cH:14]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-007f802e35784bd0851edd2c122801e5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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