2-Nitrotoluene → 4-(2-Nitrophenyl)butyronitrile
Reaction equation
[CH2:11]=[CH:12][C:13]#[N:14].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH3:10])[cH:6][cH:7][cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH2:10][CH2:11][CH2:12][C:13]#[N:14])[cH:6][cH:7][cH:8][cH:9]1Participants
3
Sources & evidence
- ORD record
- ord-3ad15ffe32d2404396dbde442746f2c1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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