HRID2264048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(=O)(=O)CC)CC1

HCID58894220

未命名化合物

结构：CCOc1cc(C(C)(C)C#N)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID58894275

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C#N)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(=O)(=O)CC)CC1

HCID58894211

未命名化合物

PROCEDURE

实验过程

In a manner analogous to the method described in example 5, (4S,5R)-4,5-bis-(4-chloro-phenyl)-2-[4-(cyano-dimethyl-methyl)-2-ethoxy-phenyl]-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride was reacted with 1-(3-ethanesulfonyl-propyl)-piperazine dihydrochloride (example 167) to give the title compound. HR-MS (ES, m/z) calculated for C38H48N5O4SCl2 [(M+H)+] 752.2799, observed 752.2799.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e33964a76616435db62c42d0b39f045f
来源数据集: uspto-grants-2010_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07851626B2
来源说明: uspto-grants-2010_12

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@@:8]2([CH3:38])[C@:12]([C:14]3[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=3)([CH3:13])[N:11]([C:21](Cl)=[O:22])[C:10]([C:24]3[CH:29]=[CH:28][C:27]([C:30]([C:33]#[N:34])([CH3:32])[CH3:31])=[CH:26][C:25]=3[O:35][CH2:36][CH3:37])=[N:9]2)=[CH:4][CH:3]=1.C(C1C=CC(C2N(C([N:72]3[CH2:77][CH2:76][N:75]([CH2:78][CH2:79][CH2:80][S:81]([CH2:84][CH3:85])(=[O:83])=[O:82])[CH2:74][CH2:73]3)=O)[C@@](C3C=CC(Cl)=CC=3)(C)[C@@](C3C=CC(Cl)=CC=3)(C)N=2)=C(OCC)C=1)(C)(C)C>>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@@:8]2([CH3:38])[C@:12]([C:14]3[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=3)([CH3:13])[N:11]([C:21]([N:72]3[CH2:73][CH2:74][N:75]([CH2:78][CH2:79][CH2:80][S:81]([CH2:84][CH3:85])(=[O:82])=[O:83])[CH2:76][CH2:77]3)=[O:22])[C:10]([C:24]3[CH:29]=[CH:28][C:27]([C:30]([CH3:31])([CH3:32])[C:33]#[N:34])=[CH:26][C:25]=3[O:35][CH2:36][CH3:37])=[N:9]2)=[CH:4][CH:3]=1