Acetonitrile → 4-Chloro-5,7-difluoroquinazoline

Reaction equation

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

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 24813Phosphorus oxychloride

HCID 81531Diisopropylethylamine

HCID 1355106875,7-Difluoro-3,4-dihydroquinazolin-4-one

Product 1

HCID 534026004-Chloro-5,7-difluoroquinazoline

Sources & evidence

ORD record: ord-a915715a53c1493694506ccd6dd71dab
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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