HRID1944943

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(CCCCCO)cc5)cc4)cc23)c1

HCID66988945

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

HCID86659105

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 68 as substrate. ES/MS calcd. for C35H34N3O5S+ 608.2. Found m/z=608.3 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ca8ed6cea2845f8a15007ddcce1cb2e
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][CH2:58][C:59]1[CH:64]=[CH:63][C:62]([C:65]2[CH:70]=[CH:69][C:68]([S:71]([C:74]3[CH:75]=[C:76]4[C:81](=[C:82]([CH3:84])[CH:83]=3)[N:80]=[CH:79][C:78]([C:85]([NH2:87])=[O:86])=[C:77]4[NH:88][C:89]3[CH:94]=[CH:93][CH:92]=[C:91]([O:95][CH3:96])[CH:90]=3)(=[O:73])=[O:72])=[CH:67][CH:66]=2)=[CH:61][CH:60]=1>>[CH3:96][O:95][C:91]1[CH:90]=[C:89]([NH:88][C:77]2[C:76]3[C:81](=[C:82]([CH3:84])[CH:83]=[C:74]([S:71]([C:68]4[CH:67]=[CH:66][C:65]([C:62]5[CH:63]=[CH:64][C:59]([CH2:58][CH2:57][CH2:56][CH2:55][CH:54]=[O:53])=[CH:60][CH:61]=5)=[CH:70][CH:69]=4)(=[O:72])=[O:73])[CH:75]=3)[N:80]=[CH:79][C:78]=2[C:85]([NH2:87])=[O:86])[CH:94]=[CH:93][CH:92]=1