HRID50197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID517111

Ammonium carbonate

CH8N2O3

结构：COC(=O)C1Cc2ccccc2N1C(=O)c1cnc2c(c1)nc(CCc1ccc(C#N)cc1)n2C

HCID18412512

未命名化合物

HCID86587043

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1Cc2ccccc2N1C(=O)c1cnc2c(c1)nc(CCc1ccc(C(=N)N)cc1)n2C.Cl

HCID18412357

未命名化合物

收率 20%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

PROCEDURE

实验过程

Prepared analogously to Example 1 from 2-[2-(4-cyanophenyl)ethyl]-3-methyl-6-(2-methoxycarbonyl-2,3-dihydroindol-1-yl-carbonyl)imidazo[4,5-b]pyridine, methanolic hydrochloric acid, methanol, and ammonium carbonate. Yield: 20% of theory, C27H26N6O3 (482.54); Rf value: 0.30 (silica gel; ethyl acetate/ethanol/ammonia=50:45:5); EKA mass spectrum: (M+H)+=483.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6e4f9dce14c45c49596fa618965b7d5
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

[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][C:11]2[N:34]([CH3:35])[C:14]3=[N:15][CH:16]=[C:17]([C:19]([N:21]4[C:29]5[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=5)[CH2:23][CH:22]4[C:30]([O:32][CH3:33])=[O:31])=[O:20])[CH:18]=[C:13]3[N:12]=2)=[CH:5][CH:4]=1)#[N:2].[ClH:36].C(=O)([O-])[O-].[NH4+:41].[NH4+].C(OCC)(=O)C.C(O)C.N>CO>[ClH:36].[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH2:9][CH2:10][C:11]2[N:34]([CH3:35])[C:14]3=[N:15][CH:16]=[C:17]([C:19]([N:21]4[C:29]5[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=5)[CH2:23][CH:22]4[C:30]([O:32][CH3:33])=[O:31])=[O:20])[CH:18]=[C:13]3[N:12]=2)=[CH:5][CH:4]=1)(=[NH:41])[NH2:2]