Hydrochloric Acid → 2-{5-Fluoro-2-(methyloxy)-3-[(phenylmethyl)oxy]phenyl}-3-oxobutanenitrile
Reaction equation
[C:23]([CH3:24])(=[O:25])[c:26]1[nH:27][cH:28][cH:29][n:30]1.[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[ClH:31].[F:1][c:2]1[cH:3][c:4]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]([O:11][CH3:12])[c:6]([CH2:8][C:9]#[N:10])[cH:7]1.[H-:21].[Na+:22].[OH2:43]>>[F:1][c:2]1[cH:3][c:4]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]([O:11][CH3:12])[c:6]([CH:8]([C:9]#[N:10])[C:23]([CH3:24])=[O:25])[cH:7]1Participants
9
Sources & evidence
- ORD record
- ord-64e48fbb1a9a4f65a99899d717717768
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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