Acetonitrile → 4-Chloro-7-fluoro-5-tetrahydropyran-4-yloxyquinazoline

HRID 1126352Notes

Reaction equation

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

Participants

Reactant 4

HCID 6342Acetonitrile

HCID 24813Phosphorus oxychloride

HCID 81531Diisopropylethylamine

HCID 1357420957-Fluoro-5-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-4(3H)-one

Product 1

HCID 221407994-Chloro-7-fluoro-5-tetrahydropyran-4-yloxyquinazoline

Sources & evidence

ORD record: ord-e610bbfdebc34354a3fb835e572f731a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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