Acetonitrile → 2-Acetyl-1,3-cyclohexanedione

HRID 2319989

Reaction equation

HRID 2319989 reaction equation
[C:14]1(=[O:21])[CH2:15][C:16](=[O:20])[CH2:17][CH2:18][CH2:19]1.[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([N+:9]([O-:10])=[O:11])[cH:12][cH:13]1.[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][C:30]([CH3:31])([OH:32])[C:33]#[N:34].[CH3:35][C:36]#[N:37]>>[C:1]([CH3:2])(=[O:3])[CH:15]1[C:14](=[O:21])[CH2:19][CH2:18][CH2:17][C:16]1=[O:20]

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 6406Acetone CyanohydrinHCID 8471TriethylamineHCID 104341,3-CyclohexanedioneHCID 132434-Nitrophenyl Acetate

Product 1

HCID 1381042-Acetyl-1,3-cyclohexanedione

Sources & evidence

ORD record
ord-2933ad0795824ca1acad277f6b6e6be1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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