Dichloromethane → (4-{[2-(1,2-Diphenyl-ethylamino)-5-nitro-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

HRID 2147546Notes

Reaction equation

HRID 2147546 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([Cl:25])[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26].[Cl:42][CH2:43][Cl:44].[c:27]1([CH:33]([CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[NH2:41])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][NH:15][c:16]2[n:17][c:18]([NH:41][CH:33]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:34][c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26]

Participants

4

Reactant 3

HCID 6344DichloromethaneHCID 264821,2-DiphenylethylamineHCID 57885529(4-[(2-Chloro-5-nitro-pyrimidin-4-ylamino)-methyl]cyclohexyl)-carbamic acid tert-butyl ester

Product 1

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

Sources & evidence

ORD record
ord-185aa88a610b4348a676428db00b7492
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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