Methane → 4-[2-(p-Pentylphenyl)ethyl]cyclohexanecarbonitrile
Reaction equation
[C:31].[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([CH:12]=[CH:13][CH:14]2[CH2:15][CH2:16][CH:17]([C:20]#[N:21])[CH2:18][CH2:19]2)[cH:10][cH:11]1.[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[H:22][H:23].[Pd:32]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([CH2:12][CH2:13][CH:14]2[CH2:15][CH2:16][CH:17]([C:20]#[N:21])[CH2:18][CH2:19]2)[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-a417059d05364fdf9ca6689e0e3422b4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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