Methanethiol → 2-Methylthio-4-(4-trifluoromethylphenyl)benzonitrile
Reaction equation
[CH3:20][SH:21].[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1.[Na:22].[OH2:23]>>[c:2]1([S:21][CH3:20])[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8](-[c:10]2[cH:11][cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1Participants
6
Sources & evidence
- ORD record
- ord-931e5622b446422e847495338ba7ea9c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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