Dichloromethane → N4-[(trans-4-aminocyclohexyl)methyl]-5-nitro-N2-(3-piperidin-1-ylbenzyl)pyrimidine-2,4-diamine

HRID 2151136Notes

Reaction equation

HRID 2151136 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][c:27]3[cH:28][c:29]([N:33]4[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:30][cH:31][cH:32]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:39].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[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][c:27]3[cH:28][c:29]([N:33]4[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]4)[cH:30][cH:31][cH:32]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 57885629(4-{[5-Nitro-2-(3-piperidin-1-yl-benzylamino)-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

Product 1

HCID 25168516N4-[(trans-4-aminocyclohexyl)methyl]-5-nitro-N2-(3-piperidin-1-ylbenzyl)pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-3d8087be8712445dae1144aa431bd5ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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