HRID1678631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24386

Thionyl chloride

Cl2OS

HCID20536493

Ethyl 4-amino-3-fluorobenzoate

C9H10FNO2

结构：O=C(O)C(c1c2ccccc2nn1-c1ccc(Cl)cc1)C1CCCCC1

HCID67131005

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)C(c2c3ccccc3nn2-c2ccc(Cl)cc2)C2CCCCC2)c(F)c1

HCID67131173

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

PROCEDURE

实验过程

In analogy to the procedure described in example 6, [2-(4-chloro-phenyl)-2H-indazol-3-yl]-cyclohexyl-acetic acid was converted into the corresponding acid chloride with thionyl chloride which subsequently reacted with 4-amino-3-fluoro-benzoic acid ethyl ester (CAS Reg. No. 73792-12-8) in the presence of DMAP to give the title compound as colorless oil. MS: m/e=534.3 [M+H+].

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82e40b588c9646a3a275f6c8863c04d8
来源数据集: uspto-grants-2011_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08008505B2
来源说明: uspto-grants-2011_08

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:16]([CH:17]([CH:21]3[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]3)[C:18]([OH:20])=O)=[C:15]3[C:10]([CH:11]=[CH:12][CH:13]=[CH:14]3)=[N:9]2)=[CH:4][CH:3]=1.S(Cl)(Cl)=O.[CH2:31]([O:33][C:34](=[O:43])[C:35]1[CH:40]=[CH:39][C:38]([NH2:41])=[C:37]([F:42])[CH:36]=1)[CH3:32]>CN(C1C=CN=CC=1)C>[CH2:31]([O:33][C:34](=[O:43])[C:35]1[CH:40]=[CH:39][C:38]([NH:41][C:18](=[O:20])[CH:17]([C:16]2[N:8]([C:5]3[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=3)[N:9]=[C:10]3[C:15]=2[CH:14]=[CH:13][CH:12]=[CH:11]3)[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)=[C:37]([F:42])[CH:36]=1)[CH3:32]