HRID75439

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CN(Cc1ccc(NC(=O)Nc2ccc(-c3nc(CS(C)(=O)=O)cc(N4CC5CCC(C4)O5)n3)cc2)cc1)C(=O)OC(C)(C)C

HCID49764258

未命名化合物

PRODUCTS

生成物

HCID49764258

未命名化合物

结构：CNCc1ccc(NC(=O)Nc2ccc(-c3nc(CS(C)(=O)=O)cc(N4CC5CCC(C4)O5)n3)cc2)cc1

HCID49764512

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

tert-Butyl 4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(methylsulfonylmethyl)pyrimidin-2-yl)phenyl)ureido)benzyl(methyl)carbamate was prepared as described above. Removal of the Boc group in tert-butyl 4-(3-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-(methylsulfonylmethyl)pyrimidin-2-yl)phenyl)ureido)benzyl(methyl)carbamate (98.3 mgs, 0.154 mmoles) by treatment with trifluoroacetic acid in dichloromethane gave the title compound. Yield: 70.8 mg (86%). RT 1.63, M+H=537.2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0747616e7324ce1bfd5b787f3f97613
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08835429B2
来源说明: uspto-grants-2014_09

反应 SMILES

[CH:1]12[O:8][CH:5]([CH2:6][CH2:7]1)[CH2:4][N:3]([C:9]1[CH:14]=[C:13]([CH2:15][S:16]([CH3:19])(=[O:18])=[O:17])[N:12]=[C:11]([C:20]3[CH:25]=[CH:24][C:23]([NH:26][C:27](=[O:45])[NH:28][C:29]4[CH:44]=[CH:43][C:32]([CH2:33][N:34]([CH3:42])[C:35](=[O:41])[O:36][C:37]([CH3:40])([CH3:39])[CH3:38])=[CH:31][CH:30]=4)=[CH:22][CH:21]=3)[N:10]=1)[CH2:2]2.FC(F)(F)C(O)=O>ClCCl>[CH:1]12[O:8][CH:5]([CH2:6][CH2:7]1)[CH2:4][N:3]([C:9]1[CH:14]=[C:13]([CH2:15][S:16]([CH3:19])(=[O:17])=[O:18])[N:12]=[C:11]([C:20]3[CH:21]=[CH:22][C:23]([NH:26][C:27](=[O:45])[NH:28][C:29]4[CH:30]=[CH:31][C:32]([CH2:33][N:34]([CH3:42])[C:35](=[O:41])[O:36][C:37]([CH3:39])([CH3:40])[CH3:38])=[CH:43][CH:44]=4)=[CH:24][CH:25]=3)[N:10]=1)[CH2:2]2.[CH:5]12[O:8][CH:1]([CH2:7][CH2:6]1)[CH2:2][N:3]([C:9]1[CH:14]=[C:13]([CH2:15][S:16]([CH3:19])(=[O:17])=[O:18])[N:12]=[C:11]([C:20]3[CH:21]=[CH:22][C:23]([NH:26][C:27]([NH:28][C:29]4[CH:30]=[CH:31][C:32]([CH2:33][NH:34][CH3:35])=[CH:43][CH:44]=4)=[O:45])=[CH:24][CH:25]=3)[N:10]=1)[CH2:4]2