HRID573911

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20481024

N-(4-Methoxy-2-methylphenyl)thiourea

C9H12N2OS

结构：O=C=NCc1cccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)c1

HCID90412150

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(NC(=S)NC(=O)NCc2cccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)c2)c(C)c1

HCID90413313

未命名化合物

PROCEDURE

实验过程

The title compound was prepared as described in Example 75 using 3-(3-(isocyanatomethyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole (CB34) and 1-(4-methoxy-2-methylphenyl)thiourea and isolated as an off-white solid (0.212 g, 50%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9daf196baa804cb49e6cdea4ec3319d7
来源数据集: uspto-grants-2015_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09029560B2
来源说明: uspto-grants-2015_05

反应 SMILES

[N:1]([CH2:4][C:5]1[CH:6]=[C:7]([C:11]2[N:15]=[CH:14][N:13]([C:16]3[CH:21]=[CH:20][C:19]([O:22][C:23]([F:26])([F:25])[F:24])=[CH:18][CH:17]=3)[N:12]=2)[CH:8]=[CH:9][CH:10]=1)=[C:2]=[O:3].[CH3:27][O:28][C:29]1[CH:34]=[CH:33][C:32]([NH:35][C:36]([NH2:38])=[S:37])=[C:31]([CH3:39])[CH:30]=1>>[CH3:27][O:28][C:29]1[CH:34]=[CH:33][C:32]([NH:35][C:36]([NH:38][C:2]([NH:1][CH2:4][C:5]2[CH:10]=[CH:9][CH:8]=[C:7]([C:11]3[N:15]=[CH:14][N:13]([C:16]4[CH:21]=[CH:20][C:19]([O:22][C:23]([F:25])([F:24])[F:26])=[CH:18][CH:17]=4)[N:12]=3)[CH:6]=2)=[O:3])=[S:37])=[C:31]([CH3:39])[CH:30]=1