Bicarbonate Ion → 2-[4-(1-Methyl-piperidin-4-yl)-butoxy]-isonicotinonitrile
Reaction equation
[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][OH:12])[CH2:6][CH2:7]1.[Cl:15][c:16]1[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][n:23]1.[H-:14].[Na+:13].[Na+:28].[O-:24][C:25]([OH:26])=[O:27].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[OH2:34]>>[CH3:1][N:2]1[CH2:3][CH2:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][O:12][c:16]2[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][n:23]2)[CH2:6][CH2:7]1Participants
8
Sources & evidence
- ORD record
- ord-5cc02ec60f90446aa87511d5a1d47f64
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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