Potassium Cation → 4-(1,3-Dioxan-2-yl)-3-[(2-hydroxyethyl)sulfanyl]benzonitrile
Reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[K+:24].[K+:25].[O:1]1[CH:2]([c:7]2[c:8]([F:15])[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[O:3][CH2:4][CH2:5][CH2:6]1.[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[SH:16][CH2:17][CH2:18][OH:19]>>[O:1]1[CH:2]([c:7]2[c:8]([S:16][CH2:17][CH2:18][OH:19])[cH:9][c:10]([C:11]#[N:12])[cH:13][cH:14]2)[O:3][CH2:4][CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-d8c81ac1b593415d8d01dd7eee420f4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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