HRID1944937

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)Nc5cccc(-c6ccc(CCCCO)cc6)c5)c4)cc23)c1

HCID66988140

未命名化合物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(-c6ccc(CCCC=O)cc6)cc5)c4)cc23)c1

HCID86659098

未命名化合物

PRODUCTS

生成物

HCID86659099

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 124, using Intermediate 91 as a substrate. ES/MS calcd. for C41H37N4O6S+ 713.2. Found m/z=713.4 (M−H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43032033dcc54feebc7dd582f73b725f
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)NC5C=CC(C6C=CC(CCCC=O)=CC=6)=CC=5)C=4)(=O)=O)C=3)N=CC=2C(N)=O)C=CC=1.[OH:53][CH2:54][CH2:55][CH2:56][CH2:57][C:58]1[CH:63]=[CH:62][C:61]([C:64]2[CH:69]=[CH:68][CH:67]=[C:66]([NH:70][C:71]([C:73]3[CH:74]=[C:75]([S:79]([C:82]4[CH:83]=[C:84]5[C:89](=[C:90]([CH3:92])[CH:91]=4)[N:88]=[CH:87][C:86]([C:93]([NH2:95])=[O:94])=[C:85]5[NH:96][C:97]4[CH:102]=[CH:101][CH:100]=[C:99]([O:103][CH3:104])[CH:98]=4)(=[O:81])=[O:80])[CH:76]=[CH:77][CH:78]=3)=[O:72])[CH:65]=2)=[CH:60][CH:59]=1>>[CH3:104][O:103][C:99]1[CH:98]=[C:97]([NH:96][C:85]2[C:84]3[C:89](=[C:90]([CH3:92])[CH:91]=[C:82]([S:79]([C:75]4[CH:76]=[CH:77][CH:78]=[C:73]([C:71](=[O:72])[NH:70][C:66]5[CH:65]=[C:64]([C:61]6[CH:60]=[CH:59][C:58]([CH2:57][CH2:56][CH2:55][CH:54]=[O:53])=[CH:63][CH:62]=6)[CH:69]=[CH:68][CH:67]=5)[CH:74]=4)(=[O:81])=[O:80])[CH:83]=3)[N:88]=[CH:87][C:86]=2[C:93]([NH2:95])=[O:94])[CH:102]=[CH:101][CH:100]=1