HRID517188

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC1=C(C(NC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C#N)cc2)C(=O)CC(C(F)(F)F)C1

HCID86732302

未命名化合物

2 次

结构：COc1cc(C2CC(=O)C(C(NC(=O)Nc3cccc(C(F)(F)F)c3)c3ccc(C#N)cc3)=C(O)C2)cc(OC)c1OC

HCID86732306

未命名化合物

2 次

PRODUCTS

生成物

结构：CCOC1=C(C(NC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(C#N)cc2)C(=O)CC(c2cc(OC)c(OC)c(OC)c2)C1

HCID86732307

未命名化合物

PROCEDURE

实验过程

The title compound is prepared in analogy to 1-((4-cyanophenyl)(2-ethoxy-6-oxo-4-(tri-fluoromethyl)cyclohex-1-enyl)methyl)-3-(3-(trifluoromethyl)phenyl)urea (intermediate 13), using 1-((4-cyanophenyl)(2-hydroxy-6-oxo-4-(3,4,5-trimethoxyphenyl)cyclohex-1-enyl)-methyl)-3-(3-(trifluoromethyl)phenyl)urea (intermediate 18, 680 mg, 1.14 mmol) as starting material. Yield: 684 mg; ESI mass spectrum [M+H]+=624, Retention time HPLC: 1.27 min (V011_S01).

WORKUP

后处理

custom1.27 min (V011_S01)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e6a59563f6e44958e2e73eafc88bf07
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09115093B2
来源说明: uspto-grants-2015_08

反应 SMILES

[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]([C:24]2[C:29](=[O:30])[CH2:28][CH:27]([C:31](F)(F)F)[CH2:26][C:25]=2[O:35][CH2:36][CH3:37])[NH:10][C:11]([NH:13][C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([F:23])([F:22])[F:21])[CH:15]=2)=[O:12])=[CH:5][CH:4]=1)#[N:2].C(C1C=CC(C(C2C(=O)CC(C3[CH:73]=[C:72]([O:74][CH3:75])[C:71]([O:76][CH3:77])=[C:70]([O:78][CH3:79])[CH:69]=3)CC=2O)NC(NC2C=CC=C(C(F)(F)F)C=2)=O)=CC=1)#N>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH:9]([C:24]2[C:29](=[O:30])[CH2:28][CH:27]([C:31]3[CH:69]=[C:70]([O:78][CH3:79])[C:71]([O:76][CH3:77])=[C:72]([O:74][CH3:75])[CH:73]=3)[CH2:26][C:25]=2[O:35][CH2:36][CH3:37])[NH:10][C:11]([NH:13][C:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([F:21])([F:22])[F:23])[CH:15]=2)=[O:12])=[CH:5][CH:4]=1)#[N:2]