Ethanol → 2-Pentylcyclopentanecarbonitrile
Reaction equation
[CH2:14]([CH2:15][CH2:16][CH2:17][CH3:18])[CH:19]1[C:20](=[O:24])[CH2:21][CH2:22][CH2:23]1.[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[CH3:32][CH2:33][OH:34].[OH2:25].[S:1]([c:3]1[cH:4][cH:5][c:6]([CH3:7])[cH:8][cH:9]1)(=[O:10])([CH2:11][N+:12]#[C-:2])=[O:13]>>[C:11](#[N:12])[CH:20]1[CH:19]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:23][CH2:22][CH2:21]1Participants
6
Sources & evidence
- ORD record
- ord-ec6a1038bb984537b13ae25b93dc5654
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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