Acetone → 4-Formyl-3-(phenylsulfonyl)benzonitrile
Reaction equation
[CH3:43][C:44]([CH3:45])=[O:46].[O:1]1[CH:2]([c:7]2[c:8]([S:15](=[O:16])(=[O:17])[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[O:6][CH2:5][CH2:4][CH2:3]1.[OH2:41].[OH2:42].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([O-:30])(=[O:31])=[O:32])[cH:33][cH:34]1.[nH+:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[O:1]=[CH:2][c:7]1[c:8]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-d8e01fd06d65433f8a1dda578c43fdf5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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