HRID1814177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20770804

未命名化合物

结构：COC(=O)C(C)(C)c1ccc(SCc2ccc(-c3ccc(C(F)(F)F)cn3)cc2)c(OC)c1

HCID20770807

未命名化合物

HCID22280116

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cn1c(=O)oc2cc(SCc3cccc(OCc4ccc(C(F)(F)F)cc4)c3)ccc21

HCID20770800

未命名化合物

收率 25%

PROCEDURE

实验过程

Compound 76D was prepared analogously to compound 21D using the product prepared from compound 76C and 6B. Yield was 25% after flash column purification. MS m/z 504 (M+1). 400 MHz 1H NMR (DMSO-d6) δ 7.61-6.71 (m, 11H), 5.05 (s, 2H), 4.50 (s, 2H), 3.99 (s, 2H), 3.74 (s, 3H).

WORKUP

后处理

customYield was 25% after flash column purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d5674adbd55413d89697c875c7a41f8
来源数据集: uspto-grants-2005_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06875780B2
来源说明: uspto-grants-2005_04

反应 SMILES

COC(=O)C(C1C=CC(SCC2C=CC(C3C=CC(C(F)(F)F)=CN=3)=CC=2)=C(OC)C=1)(C)C.[CH3:34][O:35][C:36](=[O:49])[CH2:37][N:38]1[C:42]2[CH:43]=[CH:44][C:45]([SH:47])=[CH:46][C:41]=2[O:40][C:39]1=[O:48].[F:50][C:51]([F:69])([F:68])[C:52]1[CH:67]=[CH:66][C:55]([CH2:56][O:57][C:58]2[CH:63]=[CH:62][CH:61]=[C:60]([CH2:64]Cl)[CH:59]=2)=[CH:54][CH:53]=1>>[CH3:34][O:35][C:36](=[O:49])[CH2:37][N:38]1[C:42]2[CH:43]=[CH:44][C:45]([S:47][CH2:64][C:60]3[CH:61]=[CH:62][CH:63]=[C:58]([O:57][CH2:56][C:55]4[CH:66]=[CH:67][C:52]([C:51]([F:50])([F:68])[F:69])=[CH:53][CH:54]=4)[CH:59]=3)=[CH:46][C:41]=2[O:40][C:39]1=[O:48]