Acetic Acid → 2-Chloro-5-nitropyrimidin-4-yl thiocyanate

HRID 100773

Reaction equation

HRID 100773 reaction equation
[C:16]([OH:17])(=[O:18])[CH3:19].[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([Cl:8])[n:7]1.[K+:12].[OH2:20].[S-:13][C:14]#[N:15]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([N+:9](=[O:10])[O-:11])[c:6]([S:13][C:14]#[N:15])[n:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 813Potassium CationHCID 962WaterHCID 9322ThiocyanateHCID 5212662,4-Dichloro-5-nitropyrimidine

Product 1

HCID 210775882-Chloro-5-nitropyrimidin-4-yl thiocyanate

Sources & evidence

ORD record
ord-cb1914268c87468cb8d7261ebf3c288b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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