HRID50401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID787

Hydroxylamine

H3NO

结构：Cn1c(CNc2ccc(C#N)cc2)nc2cc(C(=O)N(CCC(=O)NS(C)(=O)=O)c3ccccn3)ccc21

HCID18412590

未命名化合物

HCID21584144

Dichloromethane ethanol

C3H8Cl2O

PRODUCTS

生成物

结构：Cn1c(CNc2ccc(C(=N)NO)cc2)nc2cc(C(=O)N(CCC(=O)NS(C)(=O)=O)c3ccccn3)ccc21

HCID178480671

未命名化合物

收率 27%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

PROCEDURE

实验过程

Prepared analogously to Example 96 from 1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-[2-(methanesulfonylaminocarbonyl)ethyl]amide and hydroxylamine. Yield: 27% of theory, C26H28N8O5S (564.6); Rf value: 0.75 (silica gel; dichloromethane/ethanol=7:3+1% glacial acetic acid); EKA mass spectrum: (M+H)+=565; (M+Na)+=587.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56e577b7d629447996fbe8d7dc4ffb32
来源数据集: uspto-grants-2004_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06710055B2
来源说明: uspto-grants-2004_03

反应 SMILES

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