HRID1828080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22064729

未命名化合物

结构：Cl.Cl.N=C(NC(=O)OCc1ccccc1)c1ccc(CN)cc1

HCID141089245

Carbamic acid, [[4-(aminomethyl)phenyl]iminomethyl]-, phenylmethyl ester, dihydrochloride

C16H19Cl2N3O2

PRODUCTS

生成物

结构：CCOC(C(=O)NCc1ccc(C(N)=NC(=O)OCc2ccccc2)cc1)n1ccc(-c2ccncc2)n1

HCID69641596

未命名化合物

PROCEDURE

实验过程

According to general method C, ethoxy-(3-pyridin-4-yl-pyrazol-1-yl)-acetic acid was reacted with [(4-aminomethyl-phenyl)-imino-methyl]-carbamic acid benzyl ester dihydrochloride (CAS 172348-75-3) to give (RS)-[amino-(4-{[2-ethoxy-2-(3-pyridin-4-yl-pyrazol-1-yl)-acetylamino]-methyl}-phenyl)-methylene]-carbamic acid benzyl ester. White powder. MS 513.3 ([M+H]+)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efb9188e3b84471bb7dd776cda3e732f
来源数据集: uspto-grants-2006_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07056932B2
来源说明: uspto-grants-2006_06

反应 SMILES

[CH2:1]([O:3][CH:4]([N:8]1[CH:12]=[CH:11][C:10]([C:13]2[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=2)=[N:9]1)[C:5]([OH:7])=O)[CH3:2].Cl.Cl.[CH2:21]([O:28][C:29](=[O:41])[NH:30][C:31]([C:33]1[CH:38]=[CH:37][C:36]([CH2:39][NH2:40])=[CH:35][CH:34]=1)=[NH:32])[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1>>[CH2:21]([O:28][C:29](=[O:41])[N:30]=[C:31]([NH2:32])[C:33]1[CH:34]=[CH:35][C:36]([CH2:39][NH:40][C:5](=[O:7])[CH:4]([O:3][CH2:1][CH3:2])[N:8]2[CH:12]=[CH:11][C:10]([C:13]3[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=3)=[N:9]2)=[CH:37][CH:38]=1)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1