Bicarbonate Ion → Methyl 2-chloro-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate

HRID 170596Notes

Reaction equation

HRID 170596 reaction equation
[C:27](=[O:28])([O-:29])[OH:30].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([OH:21])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1.[Na+:31].[P:22]([Cl:23])([Cl:24])([Cl:25])=[O:26]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([Cl:24])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 24813Phosphorus oxychlorideHCID 178496923Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylate

Product 1

HCID 11220571Methyl 2-chloro-4-(4-fluorophenyl)-6-isopropylpyrimidine-5-carboxylate

Sources & evidence

ORD record
ord-02aeed5b2caa4c4dac6e2b2b4e8d6015
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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