HRID1944941

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)c4ccc(-c5ccc(CCCO)cc5)cc4)cc23)c1

HCID66988508

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

HCID86659103

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 66 as a substrate. ES/MS calcd. for C33H30N3O5S+ 580.2. Found m/z=580.3 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65251c6934cd48f182717b83b3014434
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][C:57]1[CH:62]=[CH:61][C:60]([C:63]2[CH:68]=[CH:67][C:66]([S:69]([C:72]3[CH:73]=[C:74]4[C:79](=[C:80]([CH3:82])[CH:81]=3)[N:78]=[CH:77][C:76]([C:83]([NH2:85])=[O:84])=[C:75]4[NH:86][C:87]3[CH:92]=[CH:91][CH:90]=[C:89]([O:93][CH3:94])[CH:88]=3)(=[O:71])=[O:70])=[CH:65][CH:64]=2)=[CH:59][CH:58]=1>>[CH3:94][O:93][C:89]1[CH:88]=[C:87]([NH:86][C:75]2[C:74]3[C:79](=[C:80]([CH3:82])[CH:81]=[C:72]([S:69]([C:66]4[CH:65]=[CH:64][C:63]([C:60]5[CH:61]=[CH:62][C:57]([CH2:56][CH2:55][CH:54]=[O:53])=[CH:58][CH:59]=5)=[CH:68][CH:67]=4)(=[O:70])=[O:71])[CH:73]=3)[N:78]=[CH:77][C:76]=2[C:83]([NH2:85])=[O:84])[CH:92]=[CH:91][CH:90]=1