Potassium Cation → 3-[3-(3-Ethyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-phenyl]-acrylonitrile

HRID 107869Notes

Reaction equation

HRID 107869 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:12](=[O:13])[c:14]2[cH:15][c:16]([CH:21]=[CH:22][C:23]#[N:24])[cH:17][c:18]([CH3:20])[cH:19]2)[nH:6][c:7](=[O:11])[nH:8][c:9]1=[O:10].[I:31][CH2:32][CH3:33].[K+:29].[K+:30].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:12](=[O:13])[c:14]2[cH:15][c:16]([CH:21]=[CH:22][C:23]#[N:24])[cH:17][c:18]([CH3:20])[cH:19]2)[n:6]([CH2:32][CH3:33])[c:7](=[O:11])[nH:8][c:9]1=[O:10]

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6340IodoethaneHCID 19660Carbonate IonHCID 667053903-[3-(5-Isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-phenyl]-acrylonitrile

Product 1

HCID 670505193-[3-(3-Ethyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-phenyl]-acrylonitrile

Sources & evidence

ORD record
ord-34d9265f35de40b2a476ae6a852e58fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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