Ethanol → 3-[3-(3-Ethyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-methyl-phenyl]propanenitrile

HRID 212416Notes

Reaction equation

HRID 212416 reaction equation
[CH2:1]([CH3:2])[n:3]1[c:4](=[O:26])[nH:5][c:6](=[O:25])[c:7]([CH:22]([CH3:23])[CH3:24])[c:8]1[C:9](=[O:10])[c:11]1[cH:12][c:13]([CH:18]=[CH:19][C:20]#[N:21])[cH:14][c:15]([CH3:17])[cH:16]1.[CH3:29][CH2:30][OH:31].[H:27][H:28]>>[CH2:1]([CH3:2])[n:3]1[c:4](=[O:26])[nH:5][c:6](=[O:25])[c:7]([CH:22]([CH3:23])[CH3:24])[c:8]1[C:9](=[O:10])[c:11]1[cH:12][c:13]([CH2:18][CH2:19][C:20]#[N:21])[cH:14][c:15]([CH3:17])[cH:16]1

Participants

4

Reactant 3

HCID 702EthanolHCID 670505193-[3-(3-Ethyl-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidine-4-carbonyl)-5-methyl-phenyl]-acrylonitrileHCID 178418361HCID 178418361, compound

Product 1

HCID 252146993-[3-(3-Ethyl-5-isopropyl-2,6-dioxo-pyrimidine-4-carbonyl)-5-methyl-phenyl]propanenitrile

Sources & evidence

ORD record
ord-a5137eac2b7441caae9a8d7ed86adf14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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