Ethanol → (4-{[5-Nitro-2-(3-piperidin-1-yl-benzylamino)-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

HRID 197287Notes

Reaction equation

HRID 197287 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].[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:48][CH2:49][OH:50].[Cl:51][CH2:52][Cl:53].[N:34]1([c:40]2[cH:41][c:42]([CH2:43][NH2:44])[cH:45][cH:46][cH:47]2)[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]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:44][CH2:43][c:42]3[cH:41][c:40]([N:34]4[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]4)[cH:47][cH:46][cH:45]3)[n:19][cH:20][c:21]2[N+:22](=[O:23])[O-:24])[CH2:12][CH2:13]1)=[O:26]

Participants

6

Reactant 5

HCID 702EthanolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2795553(3-(1-Piperidyl)phenyl)methanamineHCID 57885529(4-[(2-Chloro-5-nitro-pyrimidin-4-ylamino)-methyl]cyclohexyl)-carbamic acid tert-butyl ester

Product 1

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

Sources & evidence

ORD record
ord-38c720c0591946eda50f3b2d72757c10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…