HRID573839

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID95576

Propanoic acid, 2-bromo-, methyl ester

C4H7BrO2

HCID89373168

未命名化合物

结构：O=C=NCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID90404408

未命名化合物

PRODUCTS

生成物

$结构：Cc1ccc(C(C)C)c(N2C(=O)C(C)S/C2=N\C(=O)NCCc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1$

HCID90404239

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 1-(2-isopropyl-5-methylphenyl)thiourea, 3-(4-(2-isocyanatoethyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole (C34a), and methyl 2-brompropanoate and isolated as a clear sticky oil (0.192 g, 49%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc4750018cb04591b8db23752b540297
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

[CH:1]([C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][C:5]=1[NH:11][C:12]([NH2:14])=[S:13])([CH3:3])[CH3:2].[N:15]([CH2:18][CH2:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]2[N:30]=[CH:29][N:28]([C:31]3[CH:36]=[CH:35][C:34]([O:37][C:38]([F:41])([F:40])[F:39])=[CH:33][CH:32]=3)[N:27]=2)=[CH:22][CH:21]=1)=[C:16]=[O:17].Br[CH:43]([CH3:48])[C:44](OC)=[O:45]>>[CH:1]([C:4]1[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][C:5]=1[N:11]1[C:44](=[O:45])[CH:43]([CH3:48])[S:13]/[C:12]/1=[N:14]\[C:16]([NH:15][CH2:18][CH2:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]2[N:30]=[CH:29][N:28]([C:31]3[CH:36]=[CH:35][C:34]([O:37][C:38]([F:40])([F:39])[F:41])=[CH:33][CH:32]=3)[N:27]=2)=[CH:22][CH:21]=1)=[O:17])([CH3:3])[CH3:2]