Toluene → 2-(2-(Methylthio)pyrimidin-4-yl)acetonitrile
Reaction equation
[C:1]([O:2][C:3](=[O:4])[CH:7]([c:8]1[n:9][c:10]([S:14][CH3:15])[n:11][cH:12][cH:13]1)[C:16]#[N:17])([CH3:5])([CH3:6])[CH3:18].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:19]1([CH3:20])[cH:21][cH:22][c:23]([S:24]([OH:25])(=[O:26])=[O:27])[cH:28][cH:29]1>>[CH2:7]([c:8]1[n:9][c:10]([S:14][CH3:15])[n:11][cH:12][cH:13]1)[C:16]#[N:17]Participants
4
Sources & evidence
- ORD record
- ord-3a4efb7a958541719ec48fa52aa8d7d4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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