Benzene → 2-(4-Methylpiperazin-1-YL)propanenitrile
Reaction equation
[C:1]([CH:2]([OH:3])[CH3:4])#[N:5].[CH3:6][N:7]1[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]1.[cH:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[C:1]([CH:2]([CH3:4])[N:10]1[CH2:9][CH2:8][N:7]([CH3:6])[CH2:12][CH2:11]1)#[N:5]Participants
4
Sources & evidence
- ORD record
- ord-941c9effd28446a4940720b6c7a103ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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