Dimethyl Sulfoxide → 2,2,3,3,4,4,4-heptafluoro-N-[4-(2-cyanoethyl)phenyl]butanamide
Reaction equation
[CH3:27][S:28]([CH3:29])=[O:30].[F:1][C:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][Br:14])[cH:10][cH:11]1)([C:15]([C:16]([F:17])([F:18])[F:19])([F:20])[F:21])[F:22].[Na:23][C:24]#[N:25].[OH2:26]>>[F:1][C:2]([C:3](=[O:4])[NH:5][c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][C:24]#[N:25])[cH:10][cH:11]1)([C:15]([C:16]([F:17])([F:18])[F:19])([F:20])[F:21])[F:22]Participants
5
Sources & evidence
- ORD record
- ord-767e457df7c940e88e2d2dd708632b00
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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