HRID1944930

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)CCCCCCO)c4)cc23)c1

HCID66988379

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

HCID86659092

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 Intermediate 80 as a substrate. ES/MS calcd. for C32H35N4O6S+ 603.2. Found m/z=603 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bec67e346024ac58b1aebe3acb84981
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][CH2:50][CH2:51][N:52]([CH3:87])[C:53]([C:55]1[CH:56]=[C:57]([S:61]([C:64]2[CH:65]=[C:66]3[C:71](=[C:72]([CH3:74])[CH:73]=2)[N:70]=[CH:69][C:68]([C:75]([NH2:77])=[O:76])=[C:67]3[NH:78][C:79]2[CH:84]=[CH:83][CH:82]=[C:81]([O:85][CH3:86])[CH:80]=2)(=[O:63])=[O:62])[CH:58]=[CH:59][CH:60]=1)=[O:54]>>[CH3:86][O:85][C:81]1[CH:80]=[C:79]([NH:78][C:67]2[C:66]3[C:71](=[C:72]([CH3:74])[CH:73]=[C:64]([S:61]([C:57]4[CH:58]=[CH:59][CH:60]=[C:55]([C:53](=[O:54])[N:52]([CH3:87])[CH2:51][CH2:50][CH2:49][CH2:48][CH2:47][CH:46]=[O:45])[CH:56]=4)(=[O:63])=[O:62])[CH:65]=3)[N:70]=[CH:69][C:68]=2[C:75]([NH2:77])=[O:76])[CH:84]=[CH:83][CH:82]=1