Dimethylformamide → (4-{[5-Cyano-2-(2-trifluoromethoxy-benzylamino)-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

HRID 195693Notes

Reaction equation

HRID 195693 reaction equation
[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[c:13]([O:18][C:19]([F:20])([F:21])[F:22])[cH:14][cH:15][cH:16][cH:17]2)[n:5][cH:6][c:7]1[C:8]#[N:9].[NH2:23][CH2:24][CH:25]1[CH2:26][CH2:27][CH:28]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:29][CH2:30]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[c:2]1([NH:23][CH2:24][CH:25]2[CH2:26][CH2:27][CH:28]([NH:31][C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:29][CH2:30]2)[n:3][c:4]([NH:10][CH2:11][c:12]2[c:13]([O:18][C:19]([F:20])([F:21])[F:22])[cH:14][cH:15][cH:16][cH:17]2)[n:5][cH:6][c:7]1[C:8]#[N:9]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 2756045tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamateHCID 58325043(4-Chloro-5-cyanopyrimidin-2-yl)-(2-trifluoromethoxy-benzyl)-amine

Product 1

HCID 59845679(4-{[5-Cyano-2-(2-trifluoromethoxy-benzylamino)-pyrimidin-4-ylamino]-methyl}-cyclohexyl)-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-98c04d8032d3428790debc32bdf53eaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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