HRID1189846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID516892

Sodium Bicarbonate

CHNaO3

HCID55216406

未命名化合物

结构：CCOC(=O)c1ccc(-c2c(F)c(OC)cc(OC)c2F)c2nccnc12

HCID86641145

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(F)c(-c2ccc(C(=O)Nc3ccc(CN4CCN(C)C(C)(C)C4)cn3)c3nccnc23)c1F

HCID44514464

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the procedure described in Example 115 but using 8-(2,6-difluoro-3,5-dimethoxy-phenyl)-quinoxaline-5-carboxylic acid ethyl ester (Step 124.1), 5-(3,3,4-trimethyl-piperazin-1-ylmethyl)-pyridin-2-ylamine (Step 107.1), stirring the reaction mixture for 15 min at reflux, pouring it onto a saturated aqueous solution of NaHCO3 and DCM. Title compound: ESI-MS: 563.1 [M+H]+; tR=3.72 min (System 1); TLC: Rf=0.33 (DCM/MeOH/NH3aq, 94:5:1).

WORKUP

后处理

customThe title compound was prepared in analogy to the procedure
temperatureat reflux

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12aaad40cb76423d88976e1bb33e7c8c
来源数据集: uspto-grants-2014_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08674099B2
来源说明: uspto-grants-2014_03

反应 SMILES

C(O[C:4]([C:6]1[C:7]2[N:8]=[CH:9][CH:10]=[N:11][C:12]=2[C:13]([C:16]2[C:21]([F:22])=[C:20]([O:23][CH3:24])[CH:19]=[C:18]([O:25][CH3:26])[C:17]=2[F:27])=[CH:14][CH:15]=1)=[O:5])C.[CH3:28][C:29]1([CH3:44])[N:34]([CH3:35])[CH2:33][CH2:32][N:31]([CH2:36][C:37]2[CH:38]=[CH:39][C:40]([NH2:43])=[N:41][CH:42]=2)[CH2:30]1.C([O-])(O)=O.[Na+].C(Cl)Cl>C(Cl)Cl.CO>[CH3:28][C:29]1([CH3:44])[N:34]([CH3:35])[CH2:33][CH2:32][N:31]([CH2:36][C:37]2[CH:38]=[CH:39][C:40]([NH:43][C:4]([C:6]3[C:7]4[N:8]=[CH:9][CH:10]=[N:11][C:12]=4[C:13]([C:16]4[C:17]([F:27])=[C:18]([O:25][CH3:26])[CH:19]=[C:20]([O:23][CH3:24])[C:21]=4[F:22])=[CH:14][CH:15]=3)=[O:5])=[N:41][CH:42]=2)[CH2:30]1