Dimethyl Sulfoxide → 2-Methyl-4-cyclopropoxy-5-nitro-6-(3-pentylamino)-pyrimidine

HRID 667001Notes

Reaction equation

[CH3:1][c:2]1[n:3][c:4]([NH:12][CH:13]([CH2:14][CH3:15])[CH2:16][CH3:17])[c:5]([N+:9](=[O:10])[O-:11])[c:6]([Cl:8])[n:7]1.[CH3:23][S:24](=[O:25])[CH3:26].[CH:18]1([O-:21])[CH2:19][CH2:20]1.[Na+:22]>>[CH3:1][c:2]1[n:3][c:4]([NH:12][CH:13]([CH2:14][CH3:15])[CH2:16][CH3:17])[c:5]([N+:9](=[O:10])[O-:11])[c:6]([O:21][CH:18]2[CH2:19][CH2:20]2)[n:7]1

Participants

Reactant 4

HCID 679Dimethyl Sulfoxide

HCID 923Sodium ion

HCID 159085846-Chloro-2-methyl-5-nitro-N-(pentan-3-yl)pyrimidin-4-amine

HCID 101107655Cyclopropanolate

Product 1

HCID 537736142-Methyl-4-cyclopropoxy-5-nitro-6-(3-pentylamino)-pyrimidine

Sources & evidence

ORD record: ord-a366811605cb42dc95954ae95f4d21d9
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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