HRID549623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID412941

NoName_3505

C7H11NO

结构：CCOC(=O)COc1ccc(Sc2cc(Br)cc(OCC3CCCC3)c2)cc1C

HCID57791902

未命名化合物

结构：CCOC(=O)COc1ccc(Sc2cc(C#Cc3ccc(CO)cc3)cc(OCCc3ccc(Cl)cc3)c2)cc1C

HCID67024299

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(Sc2cc(C#CCN3CCOCC3)cc(OCCC3CCCCC3)c2)cc1C

HCID67171335

未命名化合物

PROCEDURE

实验过程

The title product was prepared from {4-[3-Bromo-5-cyclopentylmethoxy-phenylsulfanyl)-2-methyl-phenoxy]-acetic acid ethyl ester (260 mg; 0.54 mmol) and 4-prop-2-ynyl-morpholine (203.6 mg; 1.63 mmol) applying the procedure described for {4-[3-[2-(4-Chlorophenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester. The crude product was purified by preparative HPLC (method B). Yield: 80 mg (28%). HPLC-MS: m/z: 523.9 (M)+; Rt: 2.19 min

WORKUP

后处理

customThe crude product was purified by preparative HPLC (method B)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8038208d75d479f93484821674a77e8
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07943669B2
来源说明: uspto-grants-2011_05

反应 SMILES

C(OC(=O)COC1C=CC(SC2C=C(OCC3CCCC3)C=C(Br)C=2)=CC=1C)C.[CH2:30]([N:33]1[CH2:38][CH2:37][O:36][CH2:35][CH2:34]1)[C:31]#[CH:32].[CH2:39]([O:41][C:42](=[O:79])[CH2:43][O:44][C:45]1[CH:50]=[CH:49][C:48]([S:51][C:52]2[CH:57]=[C:56](C#CC3C=CC(CO)=CC=3)[CH:55]=[C:54]([O:68][CH2:69][CH2:70][C:71]3[CH:76]=[CH:75][C:74](Cl)=[CH:73][CH:72]=3)[CH:53]=2)=[CH:47][C:46]=1[CH3:78])[CH3:40]>>[CH2:39]([O:41][C:42](=[O:79])[CH2:43][O:44][C:45]1[CH:50]=[CH:49][C:48]([S:51][C:52]2[CH:57]=[C:56]([C:32]#[C:31][CH2:30][N:33]3[CH2:38][CH2:37][O:36][CH2:35][CH2:34]3)[CH:55]=[C:54]([O:68][CH2:69][CH2:70][CH:71]3[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]3)[CH:53]=2)=[CH:47][C:46]=1[CH3:78])[CH3:40]