Ethanol → 2-(2,3,5-Trichlorophenyl)-3-oxobutyronitrile
Reaction equation
[CH3:17][CH2:18][O:19][C:20](=[O:21])[CH3:22].[CH3:1][CH2:2][O-:3].[CH3:23][CH2:24][OH:25].[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+:4]>>[CH3:1][C:2](=[O:3])[CH:14]([c:7]1[c:6]([Cl:5])[c:11]([Cl:12])[cH:10][c:9]([Cl:13])[cH:8]1)[C:15]#[N:16]Participants
6
Sources & evidence
- ORD record
- ord-60d47c19bf144d3a9cf4e5dd4b519802
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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