Acetone → 4-Formyl-3-[(1-methylethyl)sulfonyl]benzonitrile
Reaction equation
[CH3:40][C:41]([CH3:42])=[O:43].[O:1]1[CH:2]([c:7]2[c:8]([S:15](=[O:16])(=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[O:6][CH2:5][CH2:4][CH2:3]1.[OH2:38].[OH2:39].[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([O-:27])(=[O:28])=[O:29])[cH:30][cH:31]1.[nH+:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[O:1]=[CH:2][c:7]1[c:8]([S:15](=[O:16])(=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-1034d674d88742a09148b59e45916bd8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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