HRID80593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC[C@@H](NC(=O)N1Cc2nn(CC)c(=O)n2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1

HCID70815488

未命名化合物

结构：CCCC[C@@H](NC(=O)N1Cc2nnc(O)n2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1

HCID178446028

未命名化合物

结构：CC[C@@H](NC(=O)N1Cc2nnc(O)n2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c1

HCID178456083

未命名化合物

PRODUCTS

生成物

结构：CCCC[C@@H](NC(=O)N1Cc2nn(CC)c(=O)n2C[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(=O)O)c(N)c1

HCID88994526

未命名化合物

PROCEDURE

实验过程

Instead of the starting material of Example 91, Step (2), that is, the compound 91a, the compound 95a was used for a similar procedure as in Example 91, Step (2) and Step (3) to obtain the title compound.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-603fb07c72b14ffaa9c891d6a7157737
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08846660B2
来源说明: uspto-grants-2014_09

反应 SMILES

Cl[C:2]1[CH:3]=CC(OC)=C([CH:44]=1)C[C@H]1CN2C(=O)N(CC)N=C2CN(C(N[C@@H](C2C=CC(C(OC(C)(C)C)=O)=C([N+]([O-])=O)C=2)CC)=O)C1=O.[Cl:47][C:48]1[CH:49]=[CH:50][C:51]([O:89][CH3:90])=[C:52]([CH:88]=1)[CH2:53][C@H:54]1[CH2:60][N:59]2[C:61]([OH:64])=[N:62][N:63]=[C:58]2[CH2:57][N:56]([C:65]([NH:67][C@@H:68]([C:71]2[CH:83]=[CH:82][C:74]([C:75]([O:77]C(C)(C)C)=[O:76])=[C:73]([N+:84]([O-])=O)[CH:72]=2)[CH2:69]C)=[O:66])[C:55]1=[O:87].Cl[C:92]1C=CC(OC)=C([CH:134]=1)C[C@H]1CN2C(O)=NN=C2CN(C(N[C@@H](C2C=CC(C(OC(C)(C)C)=O)=C([N+]([O-])=O)C=2)CCCC)=O)C1=O>>[NH2:84][C:73]1[CH:72]=[C:71]([C@H:68]([NH:67][C:65]([N:56]2[C:55](=[O:87])[C@@H:54]([CH2:53][C:52]3[CH:88]=[C:48]([Cl:47])[CH:49]=[CH:50][C:51]=3[O:89][CH3:90])[CH2:60][N:59]3[C:61](=[O:64])[N:62]([CH2:92][CH3:134])[N:63]=[C:58]3[CH2:57]2)=[O:66])[CH2:69][CH2:44][CH2:2][CH3:3])[CH:83]=[CH:82][C:74]=1[C:75]([OH:77])=[O:76]