HRID1894400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CS(C)(=O)=O)CC1

HCID25261022

未命名化合物

结构：CCOc1nc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID57669984

未命名化合物

PRODUCTS

生成物

结构：CCOc1nc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCC(CS(C)(=O)=O)CC1

HCID25262132

未命名化合物

PROCEDURE

实验过程

In a manner analogous to the method described in example 3, (4S,5R)-2-(2-tert-butyl-4-ethoxy-pyrimidin-5-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride (example 51) was reacted with 4-methanesulfonylmethyl-piperidine (example 52) to give the title compound. HR-MS (ES, m/z) calculated for C35H44Cl2N5O4S [(M+H)+] 700.2486, observed 700.2485.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2e92a7507a2740e6927661c81261b074
来源数据集: uspto-grants-2013_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08513239B2
来源说明: uspto-grants-2013_08

反应 SMILES

C(C1N=C(OCC)C(C2N(C(Cl)=O)[C@@](C3C=CC(Cl)=CC=3)(C)[C@@](C3C=CC(Cl)=CC=3)(C)N=2)=C[N:6]=1)(C)(C)C.[C:38]([C:42]1[N:47]=[CH:46][C:45]([C:48]2[N:49]([C:69]([N:71]3[CH2:76][CH2:75][CH:74]([CH2:77][S:78]([CH3:81])(=[O:80])=[O:79])[CH2:73][CH2:72]3)=[O:70])[C@@:50]([C:62]3[CH:67]=[CH:66][C:65]([Cl:68])=[CH:64][CH:63]=3)([CH3:61])[C@@:51]([C:54]3[CH:59]=[CH:58][C:57]([Cl:60])=[CH:56][CH:55]=3)([CH3:53])[N:52]=2)=[C:44]([O:82][CH2:83][CH3:84])C=1)([CH3:41])([CH3:40])[CH3:39]>>[C:38]([C:42]1[N:6]=[C:44]([O:82][CH2:83][CH3:84])[C:45]([C:48]2[N:49]([C:69]([N:71]3[CH2:72][CH2:73][CH:74]([CH2:77][S:78]([CH3:81])(=[O:80])=[O:79])[CH2:75][CH2:76]3)=[O:70])[C@@:50]([C:62]3[CH:67]=[CH:66][C:65]([Cl:68])=[CH:64][CH:63]=3)([CH3:61])[C@@:51]([C:54]3[CH:59]=[CH:58][C:57]([Cl:60])=[CH:56][CH:55]=3)([CH3:53])[N:52]=2)=[CH:46][N:47]=1)([CH3:40])([CH3:41])[CH3:39]