HRID1944936

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)Nc5ccc(-c6ccc(CCCCO)cc6)cc5)c4)cc23)c1

HCID66988346

未命名化合物

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

HCID86659091

未命名化合物

PRODUCTS

生成物

HCID86659098

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 112, using IBX in place of Dess-Martin reagent and Intermediate 90 as a substrate. ES/MS calcd. for C41H37N4O6S+ 713.2. Found m/z=713.3 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93c0d59e4f174be199b04c0723b39883
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

COC1C=C(NC2C3C(=C(C)C=C(S(C4C=CC=C(C(=O)NCCCCCCCC=O)C=4)(=O)=O)C=3)N=CC=2C(N)=O)C=CC=1.[OH:45][CH2:46][CH2:47][CH2:48][CH2:49][C:50]1[CH:55]=[CH:54][C:53]([C:56]2[CH:61]=[CH:60][C:59]([NH:62][C:63]([C:65]3[CH:66]=[C:67]([S:71]([C:74]4[CH:75]=[C:76]5[C:81](=[C:82]([CH3:84])[CH:83]=4)[N:80]=[CH:79][C:78]([C:85]([NH2:87])=[O:86])=[C:77]5[NH:88][C:89]4[CH:94]=[CH:93][CH:92]=[C:91]([O:95][CH3:96])[CH:90]=4)(=[O:73])=[O:72])[CH:68]=[CH:69][CH:70]=3)=[O:64])=[CH:58][CH:57]=2)=[CH:52][CH:51]=1>>[CH3:96][O:95][C:91]1[CH:90]=[C:89]([NH:88][C:77]2[C:76]3[C:81](=[C:82]([CH3:84])[CH:83]=[C:74]([S:71]([C:67]4[CH:68]=[CH:69][CH:70]=[C:65]([C:63](=[O:64])[NH:62][C:59]5[CH:60]=[CH:61][C:56]([C:53]6[CH:54]=[CH:55][C:50]([CH2:49][CH2:48][CH2:47][CH:46]=[O:45])=[CH:51][CH:52]=6)=[CH:57][CH:58]=5)[CH:66]=4)(=[O:73])=[O:72])[CH:75]=3)[N:80]=[CH:79][C:78]=2[C:85]([NH2:87])=[O:86])[CH:94]=[CH:93][CH:92]=1