HRID1772437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID90404099

未命名化合物

结构：O=C=NCCc1ccc(-c2ncn(-c3ccc(C(F)(F)F)cc3)n2)cc1.[N-]=[N+]=NC(=O)CCc1ccc(-c2ncn(-c3ccc(C(F)(F)F)cc3)n2)cc1

HCID131732837

未命名化合物

PRODUCTS

生成物

$结构：COc1ccc(C(C)C)c(N2C(=O)CS/C2=N\C(=O)NCCc2ccc(-c3ncn(-c4ccc(C(F)(F)F)cc4)n3)cc2)c1$

HCID90404292

未命名化合物

PROCEDURE

实验过程

The title compound was prepared as described in Example 35 using 3-(4-(1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)propanoyl azide/3-(4-(2-isocyanatoethyl)phenyl)-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazole (C35b) and 1-(2-isopropyl-5-methoxyphenyl)thiourea (CA40) and isolated as a brown foam (0.040 g, 30%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8eb8776abc8b4d408b9b627984b7e2a3
来源数据集: uspto-grants-2016_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09249133B2
来源说明: uspto-grants-2016_02

反应 SMILES

FC(F)(F)C1C=CC(N2C=NC(C3C=CC(C[CH2:21][C:22](N=[N+]=[N-])=[O:23])=CC=3)=N2)=CC=1.[N:29]([CH2:32][CH2:33][C:34]1[CH:39]=[CH:38][C:37]([C:40]2[N:44]=[CH:43][N:42]([C:45]3[CH:50]=[CH:49][C:48]([C:51]([F:54])([F:53])[F:52])=[CH:47][CH:46]=3)[N:41]=2)=[CH:36][CH:35]=1)=[C:30]=[O:31].[CH:55]([C:58]1[CH:63]=[CH:62][C:61]([O:64][CH3:65])=[CH:60][C:59]=1[NH:66][C:67]([NH2:69])=[S:68])([CH3:57])[CH3:56]>>[CH:55]([C:58]1[CH:63]=[CH:62][C:61]([O:64][CH3:65])=[CH:60][C:59]=1[N:66]1[C:22](=[O:23])[CH2:21][S:68]/[C:67]/1=[N:69]\[C:30]([NH:29][CH2:32][CH2:33][C:34]1[CH:39]=[CH:38][C:37]([C:40]2[N:44]=[CH:43][N:42]([C:45]3[CH:50]=[CH:49][C:48]([C:51]([F:54])([F:53])[F:52])=[CH:47][CH:46]=3)[N:41]=2)=[CH:36][CH:35]=1)=[O:31])([CH3:57])[CH3:56]