HRID1873702

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1C(=O)OC(C)(C)C

HCID86650700

未命名化合物

结构：CNC(=O)c1cc2c(Oc3ccc(NC(=S)NC(=O)Cc4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OC

HCID86650720

未命名化合物

PRODUCTS

生成物

HCID62116121

未命名化合物

结构：CNC(=O)c1cc2c(Oc3ccc(N)cc3F)ccnc2cc1OC

HCID66916350

未命名化合物

PROCEDURE

实验过程

Similar to the synthesis of compound 1d, from compound 46a (50.0 mg) and 4-trifluoromethylphenylacetyl isothiocyanate (53.9 mg), the titled compound 47 was yielded (41.2 mg, yield: 48%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cbad82573c843398017ca9059943713
来源数据集: uspto-grants-2012_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08304427B2
来源说明: uspto-grants-2012_11

反应 SMILES

FC1C=C(NC(NC(=O)CC2C=CC=CC=2)=S)C=CC=1OC1C2C(=CC(OC)=C(C(OC(C)(C)C)=O)C=2)N=CC=1.[F:41][C:42]1[CH:64]=[C:63]([NH:65][C:66]([NH:68][C:69](=[O:81])[CH2:70][C:71]2[CH:76]=[CH:75][C:74]([C:77]([F:80])([F:79])[F:78])=[CH:73][CH:72]=2)=[S:67])[CH:62]=[CH:61][C:43]=1[O:44][C:45]1[C:54]2[C:49](=[CH:50][C:51]([O:59][CH3:60])=[C:52]([C:55]([NH:57][CH3:58])=[O:56])[CH:53]=2)[N:48]=[CH:47][CH:46]=1>>[NH2:65][C:63]1[CH:62]=[CH:61][C:43]([O:44][C:45]2[C:54]3[C:49](=[CH:50][C:51]([O:59][CH3:60])=[C:52]([C:55]([NH:57][CH3:58])=[O:56])[CH:53]=3)[N:48]=[CH:47][CH:46]=2)=[C:42]([F:41])[CH:64]=1.[F:80][C:77]([F:78])([F:79])[C:74]1[CH:75]=[CH:76][C:71]([CH2:70][C:69]([N:68]=[C:66]=[S:67])=[O:81])=[CH:72][CH:73]=1