Acetone → 3-(Ethylsulfonyl)-4-formylbenzonitrile
Reaction equation
[CH3:39][C:40]([CH3:41])=[O:42].[O:1]1[CH:2]([c:7]2[c:8]([S:15](=[O:16])(=[O:17])[CH2:18][CH3:19])[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[O:6][CH2:5][CH2:4][CH2:3]1.[OH2:37].[OH2:38].[c:20]1([CH3:21])[cH:22][cH:23][c:24]([S:25]([O-:26])(=[O:27])=[O:28])[cH:29][cH:30]1.[nH+:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[O:1]=[CH:2][c:7]1[c:8]([S:15](=[O:16])(=[O:17])[CH2:18][CH3:19])[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-37e9a8cdcdf544bd8a4f230113fe8cfa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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