HRID50329

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(CC(C)(C)C(=O)C(C)(C)Cc3ccc4c(c3)nc(CNc3ccc(C#N)cc3)n4C)ccc21

HCID18474037

未命名化合物

PRODUCTS

生成物

结构：Cl.Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc(CC(C)(C)C(=O)C(C)(C)Cc3ccc4c(c3)nc(CNc3ccc(C(=N)N)cc3)n4C)ccc21

HCID18474046

未命名化合物

收率 59%

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-tert-butyl ketone, ethanolic hydrochloric acid, ethanol, and ammonium carbonate. Yield: 59% of theory, C21H25N5O (363.5); EKA mass spectrum: (M+H)+=364.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a55e17e734142fc9e3615e73f3ae154
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]([CH2:11][C:12]([C:15]([C:17]([CH3:40])([CH3:39])[CH2:18][C:19]3[CH:38]=[CH:37][C:22]4[N:23]([CH3:36])[C:24]([CH2:26][NH:27][C:28]5[CH:33]=[CH:32][C:31]([C:34]#[N:35])=[CH:30][CH:29]=5)=[N:25][C:21]=4[CH:20]=3)=[O:16])([CH3:14])[CH3:13])=[CH:10][C:5]=2[N:4]=[C:3]1[CH2:41][NH:42][C:43]1[CH:48]=[CH:47][C:46]([C:49]#[N:50])=[CH:45][CH:44]=1.[ClH:51].C(=O)([O-])[O-].[NH4+:56].[NH4+:57]>C(O)C>[ClH:51].[CH3:36][N:23]1[C:22]2[CH:37]=[CH:38][C:19]([CH2:18][C:17]([C:15]([C:12]([CH3:14])([CH3:13])[CH2:11][C:9]3[CH:8]=[CH:7][C:6]4[N:2]([CH3:1])[C:3]([CH2:41][NH:42][C:43]5[CH:48]=[CH:47][C:46]([C:49](=[NH:56])[NH2:50])=[CH:45][CH:44]=5)=[N:4][C:5]=4[CH:10]=3)=[O:16])([CH3:40])[CH3:39])=[CH:20][C:21]=2[N:25]=[C:24]1[CH2:26][NH:27][C:28]1[CH:33]=[CH:32][C:31]([C:34](=[NH:57])[NH2:35])=[CH:30][CH:29]=1