Ammonium → 3-[Cyano-(3-ethyl-5-isopropyl-1-methoxymethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-methyl]-5-methyl-benzonitrile

HRID 317097Notes

Reaction equation

HRID 317097 reaction equation
[C:18](#[N:19])[c:20]1[cH:21][c:22]([CH2:23][C:24]#[N:25])[cH:26][c:27]([CH3:29])[cH:28]1.[Cl-:32].[Cl:1][c:2]1[c:3]([CH:15]([CH3:16])[CH3:17])[c:4](=[O:14])[n:5]([CH2:11][O:12][CH3:13])[c:6](=[O:10])[n:7]1[CH2:8][CH3:9].[H-:31].[NH4+:33].[Na+:30].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[c:2]1([CH:23]([c:22]2[cH:21][c:20]([C:18]#[N:19])[cH:28][c:27]([CH3:29])[cH:26]2)[C:24]#[N:25])[c:3]([CH:15]([CH3:16])[CH3:17])[c:4](=[O:14])[n:5]([CH2:11][O:12][CH3:13])[c:6](=[O:10])[n:7]1[CH2:8][CH3:9]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 582035516-chloro-1-ethyl-5-isopropyl-3-methoxymethyl-1H-pyrimidine-2,4-dioneHCID 667054463-(Cyanomethyl)-5-methylbenzonitrile

Product 1

HCID 252149573-[Cyano-(3-ethyl-5-isopropyl-1-methoxymethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-methyl]-5-methyl-benzonitrile

Sources & evidence

ORD record
ord-c321a56d78e545d8be90892557e72a0e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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