Acetonitrile → 3-(4-Dimethylamino-phenyl)-3-oxo-propionitrile

HRID 2341304

Reaction equation

HRID 2341304 reaction equation
[CH2:23]1[O:24][CH2:25][CH2:26][CH2:27]1.[CH2:4]([Li:5])[CH2:6][CH2:7][CH3:8].[CH2:9]([O:10][C:12]([c:13]1[cH:14][cH:15][c:16]([N:19]([CH3:20])[CH3:21])[cH:17][cH:18]1)=[O:22])[CH3:11].[CH3:1][C:2]#[N:3].[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33]>>[CH2:1]([C:2]#[N:3])[C:12]([c:13]1[cH:14][cH:15][c:16]([N:19]([CH3:20])[CH3:21])[cH:17][cH:18]1)=[O:22]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 25127Ethyl 4-(dimethylamino)benzoateHCID 178418339Butyllithium

Product 1

HCID 110196163-(4-Dimethylamino-phenyl)-3-oxo-propionitrile

Sources & evidence

ORD record
ord-2706048e6a1c442ba306a0ba4c0377a5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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