HRID1944931

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#CCCCO)c(C)c5)c4)cc23)c1

HCID66988230

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

HCID86659093

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized in a manner analogous to that described in Intermediate 112, using Intermediate 75 as a substrate. ES/MS calcd. for C37H32N4O6S 660.2. Found m/z=661 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50d3332ec3f842589f58cd5a3154ad5a
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][C:49]#[C:50][C:51]1[CH:56]=[CH:55][C:54]([NH:57][C:58]([C:60]2[CH:61]=[C:62]([S:66]([C:69]3[CH:70]=[C:71]4[C:76](=[C:77]([CH3:79])[CH:78]=3)[N:75]=[CH:74][C:73]([C:80]([NH2:82])=[O:81])=[C:72]4[NH:83][C:84]3[CH:89]=[CH:88][CH:87]=[C:86]([O:90][CH3:91])[CH:85]=3)(=[O:68])=[O:67])[CH:63]=[CH:64][CH:65]=2)=[O:59])=[CH:53][C:52]=1[CH3:92]>>[CH3:91][O:90][C:86]1[CH:85]=[C:84]([NH:83][C:72]2[C:71]3[C:76](=[C:77]([CH3:79])[CH:78]=[C:69]([S:66]([C:62]4[CH:63]=[CH:64][CH:65]=[C:60]([C:58](=[O:59])[NH:57][C:54]5[CH:55]=[CH:56][C:51]([C:50]#[C:49][CH2:48][CH2:47][CH:46]=[O:45])=[C:52]([CH3:92])[CH:53]=5)[CH:61]=4)(=[O:68])=[O:67])[CH:70]=3)[N:75]=[CH:74][C:73]=2[C:80]([NH2:82])=[O:81])[CH:89]=[CH:88][CH:87]=1