Acetonitrile → 4,4,5,5,5-Pentafluoro-3-oxopentanenitrile

HRID 150613

Reaction equation

[CH2:16]([Li:17])[CH2:18][CH2:19][CH3:20].[CH3:1][C:2]#[N:3].[CH3:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26].[F:4][C:5]([C:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])([F:12])[F:13])([F:14])[F:15]>>[CH2:1]([C:2]#[N:3])[C:7]([C:6]([C:5]([F:4])([F:14])[F:15])([F:12])[F:13])=[O:8]

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 8058Hexane

HCID 67928Propanoic acid, 2,2,3,3,3-pentafluoro-, ethyl ester

HCID 178418339Butyllithium

Product 1

HCID 156138214,4,5,5,5-Pentafluoro-3-oxopentanenitrile

Sources & evidence

ORD record: ord-e62818f621b14766a4da6d94b89110b8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Linked notes

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