Citric Acid → 3-[4-({[4'-(2-Ethoxyethoxy)-2',6'-dimethylbiphenyl-3-yl]methyl}amino)-2-fluorophenyl]propanoic acid
Reaction equation
[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:36])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][NH:21][c:22]3[cH:23][c:24]([F:35])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1.[CH3:53][CH2:54][OH:55].[Na+:38].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH-:37].[OH2:39].[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[CH2:1]([CH3:2])[O:3][CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:36])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][NH:21][c:22]3[cH:23][c:24]([F:35])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-372c0e4564114a1cbe487a1d047fd577
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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