Isopropanol → 4,4-Diphenyl-4-formylbutanenitrile
Reaction equation
[CH2:16]=[CH:17][C:18]#[N:19].[CH:31]([OH:32])([CH3:33])[CH3:34].[N:20]12[CH2:21][CH2:22][CH2:23][N:24]=[C:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]2.[c:1]1([CH:7]([CH:8]=[O:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]([CH:8]=[O:9])([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17][C:18]#[N:19])[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
5
Sources & evidence
- ORD record
- ord-f8f16b0e182547a38ef5c3a7d7f9d027
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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