HRID517190

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：N#Cc1ccc(C(NC(=O)Nc2cccc(C(F)(F)F)c2)C2=C(O)CC(c3cccs3)CC2=O)cc1

HCID86732308

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(c2cccs2)C1

HCID86732309

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-(thiophen-2-yl)cyclohex-1-enyl)methyl)-3-(3-(trifluoromethyl)phenyl)urea (intermediate 20, 444 mg, 0.87 mmol) as starting material. Yield: 507 mg; ESI mass spectrum [N+H]+=540, Retention time HPLC: 1.29 min (V011_S01).

WORKUP

后处理

custom1.29 min (V011_S01)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91f4582ffd654261b1ae7c7d120c1382
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]1C=CC(C(C2C(=O)CC(C(F)(F)F)CC=2OCC)NC(NC2C=CC=C(C(F)(F)F)C=2)=O)=CC=1)#N.[C:38]([C:40]1[CH:45]=[CH:44][C:43]([CH:46]([C:61]2[C:66](=[O:67])[CH2:65][CH:64]([C:68]3[S:69][CH:70]=[CH:71][CH:72]=3)[CH2:63][C:62]=2[OH:73])[NH:47][C:48]([NH:50][C:51]2[CH:56]=[CH:55][CH:54]=[C:53]([C:57]([F:60])([F:59])[F:58])[CH:52]=2)=[O:49])=[CH:42][CH:41]=1)#[N:39]>>[C:38]([C:40]1[CH:45]=[CH:44][C:43]([CH:46]([C:61]2[C:62](=[O:73])[CH2:63][CH:64]([C:68]3[S:69][CH:70]=[CH:71][CH:72]=3)[CH2:65][C:66]=2[O:67][CH2:1][CH3:3])[NH:47][C:48]([NH:50][C:51]2[CH:56]=[CH:55][CH:54]=[C:53]([C:57]([F:60])([F:59])[F:58])[CH:52]=2)=[O:49])=[CH:42][CH:41]=1)#[N:39]