HRID1944932

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(C#CCCCCO)cc5)c4)cc23)c1

HCID66988277

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

HCID86659094

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 instead Intermediate 76 as substrate. ES/MS calcd. for C37H33N4O6S+ 661.2. Found m/z=663.1 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f484fffa9c71404eaf0e6e87d0de9e63
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]#[C:51][C:52]1[CH:57]=[CH:56][C:55]([NH:58][C:59]([C:61]2[CH:62]=[C:63]([S:67]([C:70]3[CH:71]=[C:72]4[C:77](=[C:78]([CH3:80])[CH:79]=3)[N:76]=[CH:75][C:74]([C:81]([NH2:83])=[O:82])=[C:73]4[NH:84][C:85]3[CH:90]=[CH:89][CH:88]=[C:87]([O:91][CH3:92])[CH:86]=3)(=[O:69])=[O:68])[CH:64]=[CH:65][CH:66]=2)=[O:60])=[CH:54][CH:53]=1>>[CH3:92][O:91][C:87]1[CH:86]=[C:85]([NH:84][C:73]2[C:72]3[C:77](=[C:78]([CH3:80])[CH:79]=[C:70]([S:67]([C:63]4[CH:64]=[CH:65][CH:66]=[C:61]([C:59](=[O:60])[NH:58][C:55]5[CH:56]=[CH:57][C:52]([C:51]#[C:50][CH2:49][CH2:48][CH2:47][CH:46]=[O:45])=[CH:53][CH:54]=5)[CH:62]=4)(=[O:69])=[O:68])[CH:71]=3)[N:76]=[CH:75][C:74]=2[C:81]([NH2:83])=[O:82])[CH:90]=[CH:89][CH:88]=1