HRID1944939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(-c5ccc(CO)cc5)c4)cc23)c1

HCID66988923

未命名化合物

反应SMILES：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

产物

HCID86659101

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 64 as a substrate. ES/MS calcd. for C31H26N3O5S+ 552.2. Found m/z=552.3 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7743b10e03da403c9bc6fa785985ed37
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利号: 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][C:47]1[CH:52]=[CH:51][C:50]([C:53]2[CH:58]=[CH:57][CH:56]=[C:55]([S:59]([C:62]3[CH:63]=[C:64]4[C:69](=[C:70]([CH3:72])[CH:71]=3)[N:68]=[CH:67][C:66]([C:73]([NH2:75])=[O:74])=[C:65]4[NH:76][C:77]3[CH:82]=[CH:81][CH:80]=[C:79]([O:83][CH3:84])[CH:78]=3)(=[O:61])=[O:60])[CH:54]=2)=[CH:49][CH:48]=1>>[CH:46]([C:47]1[CH:52]=[CH:51][C:50]([C:53]2[CH:58]=[CH:57][CH:56]=[C:55]([S:59]([C:62]3[CH:63]=[C:64]4[C:69](=[C:70]([CH3:72])[CH:71]=3)[N:68]=[CH:67][C:66]([C:73]([NH2:75])=[O:74])=[C:65]4[NH:76][C:77]3[CH:82]=[CH:81][CH:80]=[C:79]([O:83][CH3:84])[CH:78]=3)(=[O:60])=[O:61])[CH:54]=2)=[CH:49][CH:48]=1)=[O:45]