Acetonitrile → 4-Chloro-5-nitropyrimidine

HRID 2153322Notes

Reaction equation

HRID 2153322 reaction equation
[CH3:16][C:17]#[N:18].[CH3:19][CH2:20][O:21][C:22](=[O:23])[CH3:24].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([OH:10])[n:6][cH:7][n:8][cH:9]1.[P:11]([Cl:12])([Cl:13])([Cl:14])=[O:15]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([Cl:13])[n:6][cH:7][n:8][cH:9]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 24813Phosphorus oxychlorideHCID 178526815HCID 178526815, compound

Product 1

HCID 249037774-Chloro-5-nitropyrimidine

Sources & evidence

ORD record
ord-1b664b301ab5453688d73f9a66eac2ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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