Acetonitrile → 4-[4-(3-Dimethylamino-propoxy)-phenyl)-3-oxo-butyronitrile
Reaction equation
[CH2:10]([O:11][C:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH2:24][N:25]([CH3:26])[CH3:27])[cH:19][cH:20]1)=[O:28])[CH3:12].[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH2:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[CH2:5]([Li:6])[CH2:7][CH2:8][CH3:9].[CH3:2][C:3]#[N:4].[Li:1]>>[CH2:2]([C:3]#[N:4])[C:13]([CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH2:24][N:25]([CH3:26])[CH3:27])[cH:19][cH:20]1)=[O:28]Participants
7
Sources & evidence
- ORD record
- ord-b37e4880d47f48b6b4bd65fb401d14ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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