Citric Acid → 3-(4-{[(2',6'-Dimethylbiphenyl-3-yl)methyl]amino}phenyl)propanoic acid
Reaction equation
[CH3:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]([CH2:15][NH: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)[cH:12][cH:13][cH:14]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:45][OH:46].[Na+:30].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH-:29].[OH2:31].[OH:32][C:33]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH2:39][C:40](=[O:41])[OH:42])[OH:43])=[O:44]>>[CH3:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]([CH2:15][NH: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)[cH:12][cH:13][cH:14]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-e9566b11d2504d0894551db76b4e4635
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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