tert-Butanol → 8-Thiabicyclo[3.2.1]octane-3-carbonitrile
Reaction equation
[C:23]([OH:24])([CH3:25])([CH3:26])[CH3:27].[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[CH:1]12[CH2:2][C:3](=[O:9])[CH2:4][CH:5]([CH2:6][CH2:7]1)[S:8]2.[S:10]([c:12]1[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]1)(=[O:19])([CH2:20][N+:21]#[C-:11])=[O:22]>>[CH:1]12[CH2:2][CH:3]([C:20]#[N:21])[CH2:4][CH:5]([CH2:6][CH2:7]1)[S:8]2Participants
5
Sources & evidence
- ORD record
- ord-3e6887abbd9e4fa79775cf1dc39e15c4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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