Potassium Cation → 5-[4-(4-cyanophenyl)-1-piperazinyl]-6-methyl-2,4-(1H,3H)-pyrimidinedione

HRID 297957

Reaction equation

[Br:1][c:2]1[c:3](=[O:10])[nH:4][c:5](=[O:9])[nH:6][c:7]1[CH3:8].[C:11](#[N:12])[c:13]1[cH:14][cH:15][c:16]([N:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[cH:17][cH:18]1.[C:27](=[O:28])([O-:29])[O-:30].[F-:25].[K+:26].[K+:31].[K+:32].[OH2:33]>>[c:2]1([N:22]2[CH2:21][CH2:20][N:19]([c:16]3[cH:15][cH:14][c:13]([C:11]#[N:12])[cH:18][cH:17]3)[CH2:24][CH2:23]2)[c:3](=[O:10])[nH:4][c:5](=[O:9])[nH:6][c:7]1[CH3:8]

Participants

Reactant 6

HCID 813Potassium Cation3×

HCID 962Water

HCID 19660Carbonate Ion

HCID 28179Fluoride Ion

HCID 847572,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-

HCID 27339954-(Piperazin-1-yl)benzonitrile

Product 1

HCID 202728655-[4-(4-cyanophenyl)-1-piperazinyl]-6-methyl-2,4-(1H,3H)-pyrimidinedione

Sources & evidence

ORD record: ord-fc7cdf650fa94853ae6d1c87829f06af
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Linked notes

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