HRID2093069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9864

Cyanamide

CH2N2

结构：COc1ccc(NC(=O)c2nc3c(s2)CN(C(=Nc2ccccc2)SC)CC3)c(NC(=O)OC(C)(C)C)c1

HCID66864416

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=O)c2nc3c(s2)CN(/C(=N/c2ccccc2)NC#N)CC3)c(NC(=O)OC(C)(C)C)c1

HCID178492350

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

A solution of methyl 2-({2-[(tert-butoxycarbonyl)amino]-4-methoxyphenyl}carbamoyl)-N-phenyl-6,7-dihydro[1,3]thiazolo[5,4-c]pyridine-5(4H)-carbimidothioate (1 eq) obtained in step I, cyanamide (10 eq) in very small quantity of THF was heated at reflux temperature for 15 h.

WORKUP

后处理

temperatureat reflux temperature for 15 h.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bda8533fb06d475bb950ddab86f2cac6
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08440830B2
来源说明: uspto-grants-2013_05

反应 SMILES

[C:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[C:13]([O:15][CH3:16])[CH:12]=[CH:11][C:10]=1[NH:17][C:18]([C:20]1[S:21][C:22]2[CH2:23][N:24]([C:29](SC)=[N:30][C:31]3[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=3)[CH2:25][CH2:26][C:27]=2[N:28]=1)=[O:19])=[O:7])([CH3:4])([CH3:3])[CH3:2].[N:39]#[C:40][NH2:41]>C1COCC1>[C:40]([NH:41]/[C:29](=[N:30]\[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)/[N:24]1[CH2:25][CH2:26][C:27]2[N:28]=[C:20]([C:18]([NH:17][C:10]3[CH:11]=[CH:12][C:13]([O:15][CH3:16])=[CH:14][C:9]=3[NH:8][C:6](=[O:7])[O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:19])[S:21][C:22]=2[CH2:23]1)#[N:39]