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

HRID 941713Notes

Reaction equation

HRID 941713 reaction equation
[C:32]([O:33][CH2:34][CH3:35])(=[O:36])[CH3:37].[CH2:23]1[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]1.[CH2:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[CH3:12][C:13]([CH2:14][C:15]([CH3:16])=[O:17])=[O:18].[CH3:19][C:20](=[O:21])[OH:22].[Cl: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]>>[Cl: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

8

Reactant 7

HCID 176Acetic AcidHCID 6344DichloromethaneHCID 8078CyclohexaneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 31261AcetylacetoneHCID 122905503-Chloro-4-formylbenzonitrile

Product 1

HCID 674168404-(2-Acetyl-3-oxobut-1-en-1-yl)-3-chlorobenzonitrile

Sources & evidence

ORD record
ord-3809a76441ac44f997839b545ab1b990
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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