Potassium Cation → 3-[5-Cyclopropyl-3-(2,6-difluoro-pyridin-4-ylmethyl)-2,6-dioxo 1,2,3,6tetrahydro-pyrimidine-4-carbonyl]-5-methyl-benzonitrile

HRID 88477Notes

Reaction equation

HRID 88477 reaction equation
[Br:29][CH2:30][c:31]1[cH:32][c:33]([F:38])[n:34][c:35]([F:37])[cH:36]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH:1]1([c:4]2[c:5]([C:12](=[O:13])[c:14]3[cH:15][c:16]([C:17]#[N:18])[cH:19][c:20]([CH3:22])[cH:21]3)[nH:6][c:7](=[O:11])[nH:8][c:9]2=[O:10])[CH2:2][CH2:3]1.[I-:39].[K+:27].[K+:28].[Li+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[CH:1]1([c:4]2[c:5]([C:12](=[O:13])[c:14]3[cH:15][c:16]([C:17]#[N:18])[cH:19][c:20]([CH3:22])[cH:21]3)[n:6]([CH2:30][c:31]3[cH:32][c:33]([F:38])[n:34][c:35]([F:37])[cH:36]3)[c:7](=[O:11])[nH:8][c:9]2=[O:10])[CH2:2][CH2:3]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 28486Lithium ionHCID 30165Iodide IonHCID 591846774-(Bromomethyl)-2,6-difluoropyridineHCID 591847043-(5-Cyclopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-benzonitrile

Product 1

HCID 250296833-[5-Cyclopropyl-3-(2,6-difluoro-pyridin-4-ylmethyl)-2,6-dioxo 1,2,3,6tetrahydro-pyrimidine-4-carbonyl]-5-methyl-benzonitrile

Sources & evidence

ORD record
ord-9392d98ec7b64c14b63d11abdbcc5a95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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