HRID2096773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID44119820

[4-Chloro-3-(ethoxycarbonyl)phenyl]boronic acid

C9H10BClO4

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc2c(c1)N(C)C(=O)CO2)C(F)(F)F

HCID66697239

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(Oc2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)ccc1Cl

HCID66697296

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID8895

Cupric acetate

C4H6CuO4

溶剂HCID1049

Pyridine

C5H5N

PROCEDURE

实验过程

In analogy to Example 5, 6-[2-(2-chloro-4-hydroxy-phenyl)-1-hydroxy-1-trifluoromethyl-propyl]-4-methyl-4H-benzo[1,4]oxazin-3-one (Example 56, step 4) was reacted with 4-chloro-3-(ethoxycarbonyl)benzeneboronic acid, copper-(II)-acetate and pyridine to give the title compound as a off-white solid. MS (m/e, ISP neg. ion)=596.3 [M−H+]

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6eda1abb029541b2a53754d0435e82fa
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08450313B2
来源说明: uspto-grants-2013_05

反应 SMILES

[Cl:1][C:2]1[CH:7]=[C:6]([OH:8])[CH:5]=[CH:4][C:3]=1[CH:9]([CH3:28])[C:10]([C:16]1[CH:17]=[CH:18][C:19]2[O:24][CH2:23][C:22](=[O:25])[N:21]([CH3:26])[C:20]=2[CH:27]=1)([OH:15])[C:11]([F:14])([F:13])[F:12].[Cl:29][C:30]1[CH:35]=[CH:34][C:33](B(O)O)=[CH:32][C:31]=1[C:39]([O:41][CH2:42][CH3:43])=[O:40]>C([O-])(=O)C.[Cu+2].C([O-])(=O)C.N1C=CC=CC=1>[CH2:42]([O:41][C:39](=[O:40])[C:31]1[CH:32]=[C:33]([O:8][C:6]2[CH:5]=[CH:4][C:3]([CH:9]([CH3:28])[C:10]([OH:15])([C:16]3[CH:17]=[CH:18][C:19]4[O:24][CH2:23][C:22](=[O:25])[N:21]([CH3:26])[C:20]=4[CH:27]=3)[C:11]([F:12])([F:13])[F:14])=[C:2]([Cl:1])[CH:7]=2)[CH:34]=[CH:35][C:30]=1[Cl:29])[CH3:43]