Acetic Acid → 2-(2,3,5-Trichlorophenyl)-4-methoxy-3-oxo-butyronitrile
Reaction equation
[CH3:17][O:18][CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24].[CH3:25][C:26](=[O:27])[OH:28].[CH3:29][CH2:30][OH:31].[CH3:2][CH2:3][O-:4].[CH3:32][O:33][CH2:34][CH2:35][O:36][CH3:37].[Cl:5][c:6]1[c:7]([CH2:14][C:15]#[N:16])[cH:8][c:9]([Cl:13])[cH:10][c:11]1[Cl:12].[Na+:1]>>[Cl:5][c:6]1[c:7]([CH:14]([C:15]#[N:16])[C:20]([CH2:19][O:18][CH3:17])=[O:21])[cH:8][c:9]([Cl:13])[cH:10][c:11]1[Cl:12]Participants
8
Sources & evidence
- ORD record
- ord-32d0d430a84d412db66e29ace0ccde74
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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