Citric Acid → 2-(2-fluoro-pyridin-4-yl)-2-(N-acetyl-cyclopentylamino)-1-(3-trifluoromethyl-phenyl)-ethanol
Reaction equation
[CH2:51]([Cl:52])[Cl:53].[CH3:34][C:35]([Cl:36])=[O:37].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:27]([NH:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[F:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH:8]([CH:9]([OH:10])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)[NH:21][CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:7]1.[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[F:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH:8]([CH:9]([OH:10])[c:11]2[cH:12][c:13]([C:17]([F:18])([F:19])[F:20])[cH:14][cH:15][cH:16]2)[N:21]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26]2)[C:35]([CH3:34])=[O:37])[cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-cfd484baec8a4196aab7a0dad9cb5e38
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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