HRID18562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)N1CCC(NC(=O)c2nc3c(C(=O)O)cccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

HCID11237840

未命名化合物

HCID22242858

3-Methoxyazetidine--hydrogen chloride (1/1)

C4H10ClNO

PRODUCTS

生成物

结构：COC1CN(C(=O)c2cccc3c2nc(C(=O)NC2CCN(C(C)C)CC2)n3Cc2cc(-c3ccc(Cl)s3)on2)C1

HCID86595875

未命名化合物

PROCEDURE

实验过程

1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(3-methoxy-azetidine-1-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide was prepared by a procedure according to example 22 starting from 205 mg (0.34 mmol) 1-[5-(5-chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-4-carboxylic acid and 46.6 mg (0.37 mmol) 3-methoxy-azetidine-hydrochloride. The title compound was obtained as its formiate. Subsequent transformation to the corresponding acetate gave a white amorphous solid. Yield: 190 mg MS (ES+): m/e=597, chloro pattern.

WORKUP

后处理

custom1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-4-(3-methoxy-azetidine-1-carbonyl)-1H-benzoimidazole-2-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide was prepared by a procedure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35860f7403f34c1bb4c4d9de86e80f99
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07741341B2
来源说明: uspto-grants-2010_06

反应 SMILES

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