HRID498424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

HCID69486873

未命名化合物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccc(C3CC3)nc2)c1

HCID69489384

1,1-Dimethylethyl 3-(6-cyclopropyl-3-pyridinyl)-β-oxobenzenepropanoate

C21H23NO3

PRODUCTS

生成物

结构：CCc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccc(C4CC4)nc3)c2)cc1C(F)(F)F

HCID86589389

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from (2-amino-5-ethyl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester (Example J33) (152 mg, 0.5 mmol) and 3-[3-(6-cyclopropyl-pyridin-3-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester (Example K21) (169 mg, 0.5 mmol) according to the general procedure M. Obtained as a light yellow foam (211 mg, 74%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-df0d3e27c11340a0ac8d9afbd560e433
来源数据集: uspto-grants-2005_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06949542B2
来源说明: uspto-grants-2005_09

反应 SMILES

[C:1]([O:5][C:6](=[O:21])[NH:7][C:8]1[CH:13]=[C:12]([CH2:14][CH3:15])[C:11]([C:16]([F:19])([F:18])[F:17])=[CH:10][C:9]=1[NH2:20])([CH3:4])([CH3:3])[CH3:2].C([O:26][C:27](=O)[CH2:28][C:29]([C:31]1[CH:36]=[CH:35][CH:34]=[C:33]([C:37]2[CH:38]=[N:39][C:40]([CH:43]3[CH2:45][CH2:44]3)=[CH:41][CH:42]=2)[CH:32]=1)=[O:30])(C)(C)C>>[C:1]([O:5][C:6](=[O:21])[NH:7][C:8]1[CH:13]=[C:12]([CH2:14][CH3:15])[C:11]([C:16]([F:19])([F:18])[F:17])=[CH:10][C:9]=1[NH:20][C:27](=[O:26])[CH2:28][C:29]([C:31]1[CH:36]=[CH:35][CH:34]=[C:33]([C:37]2[CH:38]=[N:39][C:40]([CH:43]3[CH2:44][CH2:45]3)=[CH:41][CH:42]=2)[CH:32]=1)=[O:30])([CH3:2])([CH3:3])[CH3:4]