HRID1944919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)c5ccc(CCCCOCCCCCCO)cc5)c4)cc23)c1

HCID66988389

未命名化合物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5cccc(C#CCCCBr)c5)c4)cc23)c1

HCID66988630

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)N(C)c5ccc(CCCCOCCCCCCBr)cc5)c4)cc23)c1

HCID66988130

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized in a manner analogous to that described for Intermediate 98, using Intermediate 79 in place of Intermediate 77. ES/MS calcd. for C42H48BrN4O6S+ 815.3. Found m/z=815.4 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1ed8dc092364c248b8e86213d1c3993
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08394829B2
来源说明: uspto-grants-2013_03

反应 SMILES

[Br:1]CCCC#CC1C=C(NC(C2C=C(S(C3C=C4C(=C(C)C=3)N=CC(C(N)=O)=C4NC3C=CC=C(OC)C=3)(=O)=O)C=CC=2)=O)C=CC=1.O[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][O:55][CH2:56][CH2:57][CH2:58][CH2:59][C:60]1[CH:65]=[CH:64][C:63]([N:66]([CH3:101])[C:67]([C:69]2[CH:70]=[C:71]([S:75]([C:78]3[CH:79]=[C:80]4[C:85](=[C:86]([CH3:88])[CH:87]=3)[N:84]=[CH:83][C:82]([C:89]([NH2:91])=[O:90])=[C:81]4[NH:92][C:93]3[CH:98]=[CH:97][CH:96]=[C:95]([O:99][CH3:100])[CH:94]=3)(=[O:77])=[O:76])[CH:72]=[CH:73][CH:74]=2)=[O:68])=[CH:62][CH:61]=1>>[Br:1][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][O:55][CH2:56][CH2:57][CH2:58][CH2:59][C:60]1[CH:65]=[CH:64][C:63]([N:66]([CH3:101])[C:67]([C:69]2[CH:70]=[C:71]([S:75]([C:78]3[CH:79]=[C:80]4[C:85](=[C:86]([CH3:88])[CH:87]=3)[N:84]=[CH:83][C:82]([C:89]([NH2:91])=[O:90])=[C:81]4[NH:92][C:93]3[CH:98]=[CH:97][CH:96]=[C:95]([O:99][CH3:100])[CH:94]=3)(=[O:77])=[O:76])[CH:72]=[CH:73][CH:74]=2)=[O:68])=[CH:62][CH:61]=1