Acetic Acid → 4-(2-Acetyl-3-oxobut-1-en-1-yl)-3-methylbenzonitrile

HRID 123444

Reaction equation

HRID 123444 reaction equation
[CH2:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH3:12][C:13]([CH2:14][C:15]([CH3:16])=[O:17])=[O:18].[CH3:19][C:20](=[O:21])[OH:22].[CH3:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[CH:10]=[O:11].[Cl:29][CH2:30][Cl:31]>>[CH3:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[CH:10]=[C:14]([C:13]([CH3:12])=[O:18])[C:15]([CH3:16])=[O:17]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6344DichloromethaneHCID 8082PiperidineHCID 31261AcetylacetoneHCID 109096954-Formyl-3-methylbenzonitrile

Product 1

HCID 596030304-(2-Acetyl-3-oxobut-1-en-1-yl)-3-methylbenzonitrile

Sources & evidence

ORD record
ord-ee76d47e28ba43a09a5be86b91acd4c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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