Hydrochloric Acid → N4-[(trans-4-aminocyclohexyl)methyl]-N2-(cyclohexylmethyl)-5-nitropyrimidine-2,4-diamine

HRID 827551Notes

Reaction equation

[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([NH:25][CH2:26][CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:33].[ClH:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1>>[NH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([NH:25][CH2:26][CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 312751,4-Dioxane

HCID 57885611(4-{[2-(Cyclohexylmethylamino)-5-nitro-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

Product 1

HCID 11537828N4-[(trans-4-aminocyclohexyl)methyl]-N2-(cyclohexylmethyl)-5-nitropyrimidine-2,4-diamine

Sources & evidence

ORD record: ord-3de9660c022f4e08b9c6328005328a1d
Source dataset: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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