HRID573851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2759507

N-(2-Isopropylphenyl)thiourea

C10H14N2S

结构：CCC(CC(=O)N=[N+]=[N-])c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.CCC(CN=C=O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID90418760

未命名化合物

PRODUCTS

生成物

$结构：CCC(CNC(=O)/N=C1\SCC(=O)N1c1ccccc1C(C)C)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1$

HCID86287997

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)pentanoyl azide/3-(4-(1-isocyanatobutan-2-yl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole (C42a) and 1-(2-isopropylphenyl)thiourea and isolated as a brown foam (0.041 g, 30%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7c6b2690e4e4107bea7b4ada79bd375
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

FC(F)(F)[O:3][C:4]1C=CC(N2C=NC(C3C=CC(C(CC)CC(N=[N+]=[N-])=O)=CC=3)=N2)=C[CH:5]=1.[N:32]([CH2:35][CH:36]([C:39]1[CH:44]=[CH:43][C:42]([C:45]2[N:49]=[CH:48][N:47]([C:50]3[CH:55]=[CH:54][C:53]([O:56][C:57]([F:60])([F:59])[F:58])=[CH:52][CH:51]=3)[N:46]=2)=[CH:41][CH:40]=1)[CH2:37][CH3:38])=[C:33]=[O:34].[CH:61]([C:64]1[CH:69]=[CH:68][CH:67]=[CH:66][C:65]=1[NH:70][C:71]([NH2:73])=[S:72])([CH3:63])[CH3:62]>>[CH:61]([C:64]1[CH:69]=[CH:68][CH:67]=[CH:66][C:65]=1[N:70]1[C:4](=[O:3])[CH2:5][S:72]/[C:71]/1=[N:73]\[C:33]([NH:32][CH2:35][CH:36]([C:39]1[CH:40]=[CH:41][C:42]([C:45]2[N:49]=[CH:48][N:47]([C:50]3[CH:51]=[CH:52][C:53]([O:56][C:57]([F:59])([F:58])[F:60])=[CH:54][CH:55]=3)[N:46]=2)=[CH:43][CH:44]=1)[CH2:37][CH3:38])=[O:34])([CH3:63])[CH3:62]