HRID50204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：COC(=O)CCN(C(=O)c1ccc2c(n1)nc(COc1ccc(C#N)cc1)n2C)c1ccccn1

HCID18412459

未命名化合物

HCID86755515

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCN(C(=O)c1ccc2c(n1)nc(COc1ccc(C(=N)N)cc1)n2C)c1ccccn1

HCID18412397

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

Prepared by reacting 140 mg (0.3 mmol) of 1-methyl-2-[(4-cyanophenyl)oxymethyl]imidazo[4,5-b]pyridin-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-methoxycarbonylethyl)amide with ethanol saturated by hydrogen chloride and with ammonium carbonate/ethanol analogously to Example 1g. The resulting product was purified by chromatography over silica gel with dichloromethane/ethanol (19:1 to 4:1). Yield: 48 mg of white powder (36% of theory), C26H27N7O4 (501.57); mass spectrum: (M+H)+=502.

WORKUP

后处理

customPrepared
customThe resulting product was purified by chromatography over silica gel with dichloromethane/ethanol (19:1 to 4:1)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1de2dc3071284302bc1a66e54a692716
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(OC)=O)[C:8]([C:10]1[N:15]=[C:14]2[N:16]=[C:17]([CH2:20][O:21][C:22]3[CH:27]=[CH:26][C:25]([C:28]#[N:29])=[CH:24][CH:23]=3)[N:18]([CH3:19])[C:13]2=[CH:12][CH:11]=1)=[O:9].Cl.[C:37](=[O:40])([O-])[O-:38].[NH4+:41].[NH4+].[CH2:43](O)[CH3:44]>C(O)C>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[N:7]([CH2:30][CH2:31][C:37]([O:38][CH2:43][CH3:44])=[O:40])[C:8]([C:10]1[N:15]=[C:14]2[N:16]=[C:17]([CH2:20][O:21][C:22]3[CH:23]=[CH:24][C:25]([C:28](=[NH:29])[NH2:41])=[CH:26][CH:27]=3)[N:18]([CH3:19])[C:13]2=[CH:12][CH:11]=1)=[O:9]