HRID1788589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7410

Acetophenone

C8H8O

HCID75060

2'-Bromoacetophenone

C8H7BrO

结构：O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c1)n2C1CCCCC1

HCID11181341

未命名化合物

结构：CCOC(=O)c1ccc(NC2CCCCC2)c(NC(=O)c2ccc3nc(-c4cc(C(=O)N5CCCC5)ccc4-c4ccc(Cl)cc4)ccc3c2)c1

HCID57603089

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc2c(c1)nc(-c1ccc3nc(-c4ccccc4Br)ccc3c1)n2C1CCCCC1

HCID5275978

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized in four steps as described for Compound 13, Compound 25, Compound 27 Q=ethyl and Compound 204, respectively, except 2′-bromoacetophenon was used in the first step instead of acetophenone.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be5034d2404c402f953fb1dc96bb4aaf
来源数据集: uspto-grants-2009_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07511145B2
来源说明: uspto-grants-2009_03

反应 SMILES

C(OC(=O)C1C=CC(NC2CCCCC2)=C(NC(C2C=C3C(=CC=2)N=C(C2C(C4C=CC(Cl)=CC=4)=CC=C(C(N4CCCC4)=O)C=2)C=C3)=O)C=1)C.ClC1C=CC([C:57]2[C:62]([C:63]3[CH:72]=[CH:71][C:70]4[C:65](=[CH:66][CH:67]=[C:68]([C:73]5[N:77]([CH:78]6[CH2:83][CH2:82][CH2:81][CH2:80][CH2:79]6)[C:76]6[CH:84]=[CH:85][C:86]([C:88]([OH:90])=[O:89])=[CH:87][C:75]=6[N:74]=5)[CH:69]=4)[N:64]=3)=[CH:61][C:60](C(N3CCCC3)=O)=[CH:59][CH:58]=2)=CC=1.[Br:100]C1C=CC=CC=1C(=O)C.C(C1C=CC=CC=1)(=O)C>>[Br:100][C:57]1[CH:58]=[CH:59][CH:60]=[CH:61][C:62]=1[C:63]1[CH:72]=[CH:71][C:70]2[C:65](=[CH:66][CH:67]=[C:68]([C:73]3[N:77]([CH:78]4[CH2:83][CH2:82][CH2:81][CH2:80][CH2:79]4)[C:76]4[CH:84]=[CH:85][C:86]([C:88]([OH:90])=[O:89])=[CH:87][C:75]=4[N:74]=3)[CH:69]=2)[N:64]=1