Hydrochloric Acid → N4-[(trans-4-aminocyclohexyl)methyl]-N2-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine

HRID 1152228Notes

Reaction equation

HRID 1152228 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][CH:26]([CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:40].[ClH:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]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][CH:26]([CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 59845663(4-{[2-(1,2-Diphenyl-ethylamino)-5-nitro-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

Product 1

HCID 57885729N4-[(trans-4-aminocyclohexyl)methyl]-N2-(1,2-diphenylethyl)-5-nitropyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-99317170b33a468ca489c0707b7f5ec1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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