HRID50330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID517111

Ammonium carbonate

CH8N2O3

结构：Cn1c(CNc2ccc(C#N)cc2)nc2cc(C3CCCC3(C)C(=O)C3(C)CCCC3c3ccc4c(c3)nc(CNc3ccc(C#N)cc3)n4C)ccc21

HCID69893555

未命名化合物

PRODUCTS

生成物

结构：Cl.Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(C3CCCC3(C)C(=O)C3(C)CCCC3c3ccc4c(c3)nc(CNc3ccc(C(=N)N)cc3)n4C)ccc21

HCID69893700

未命名化合物

收率 63.5%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

Prepared analogously to Example 25d from 1-methyl-2-[N-(4-cyanophenyl)aminomethyl]benzimidazol-5-yl-(1-methylcyclopent-1-yl) ketone, ethanolic hydrochloric acid, ethanol, and ammonium carbonate. Yield: 63.5% of theory, C23H27N5O (389.5); EKA mass spectrum: (M+H)+=390.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24f40f5bd7ab4c828e5635d101bcbb5a
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

[CH3:1][N:2]1[C:6]2[CH:7]=[CH:8][C:9]([CH:11]3[CH2:15][CH2:14][CH2:13][C:12]3([C:17]([C:19]3([CH3:44])[CH2:23][CH2:22][CH2:21][CH:20]3[C:24]3[CH:43]=[CH:42][C:27]4[N:28]([CH3:41])[C:29]([CH2:31][NH:32][C:33]5[CH:38]=[CH:37][C:36]([C:39]#[N:40])=[CH:35][CH:34]=5)=[N:30][C:26]=4[CH:25]=3)=[O:18])[CH3:16])=[CH:10][C:5]=2[N:4]=[C:3]1[CH2:45][NH:46][C:47]1[CH:52]=[CH:51][C:50]([C:53]#[N:54])=[CH:49][CH:48]=1.[ClH:55].C(=O)([O-])[O-].[NH4+:60].[NH4+:61]>C(O)C>[ClH:55].[CH3:41][N:28]1[C:27]2[CH:42]=[CH:43][C:24]([CH:20]3[CH2:21][CH2:22][CH2:23][C:19]3([C:17]([C:12]3([CH3:16])[CH2:13][CH2:14][CH2:15][CH:11]3[C:9]3[CH:8]=[CH:7][C:6]4[N:2]([CH3:1])[C:3]([CH2:45][NH:46][C:47]5[CH:52]=[CH:51][C:50]([C:53](=[NH:60])[NH2:54])=[CH:49][CH:48]=5)=[N:4][C:5]=4[CH:10]=3)=[O:18])[CH3:44])=[CH:25][C:26]=2[N:30]=[C:29]1[CH2:31][NH:32][C:33]1[CH:34]=[CH:35][C:36]([C:39](=[NH:61])[NH2:40])=[CH:37][CH:38]=1