Methyl Ethyl Ketone → 4-(Trifluoromethylsulphonyl)benzonitrile
Reaction equation
[CH2:37]([C:38]([CH3:39])=[O:40])[CH3:41].[Cl:20][c:21]1[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[C:30]([F:31])([F:32])[F:33])[cH:25][cH:26]1.[Na:34][C:35]#[N:36].[Zn:42].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[c:21]1([C:35]#[N:36])[cH:22][cH:23][c:24]([S:27](=[O:28])(=[O:29])[C:30]([F:31])([F:32])[F:33])[cH:25][cH:26]1Participants
6
Sources & evidence
- ORD record
- ord-d329fb1e1d7f46d0b0b82f3101250b80
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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