Acetic Acid → 4-[(4-Dipropylaminobutyl)methylamino]methylbenzonitrile
Reaction equation
[C:24]([BH3-:25])#[N:26].[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][NH:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]1)[CH2:19][CH2:20][CH3:21].[CH2:22]=[O:23].[CH3:30][OH:31].[CH3:32][C:33](=[O:34])[OH:35].[Na+:27].[Na+:29].[OH-:28]>>[CH2:1]([CH2:2][CH3:3])[N:4]([CH2:5][CH2:6][CH2:7][CH2:8][N:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]1)[CH3:24])[CH2:19][CH2:20][CH3:21]Participants
8
Sources & evidence
- ORD record
- ord-f1e1d153079245be87e7e7c15b12f521
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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