HRID1894411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3939

Lithium hydroxide anhydrous

HLiO

结构：CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)OC(C)(C)C)CC1

HCID67207089

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)O)CC1.Cl

HCID25262898

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

{4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetic acid tert-butyl ester was either reacted with lithium hydroxide (2N solution) in methanol and tetrahydrofuran at 50° C. for 4 h or with 1N hydrochloric acid at 50° C. for 2.5 h to give the title compound. HR-MS (ES, m/z) calculated for C35H42Cl2N5O4 [(M+H)+] 666.2609, observed 666.2611.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-121a4ee0cff74c85bdcc0d609cd8385a
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([O:5][C:6](=[O:50])[CH2:7][N:8]1[CH2:13][CH2:12][N:11]([C:14]([N:16]2[C@@:20]([C:22]3[CH:27]=[CH:26][C:25]([Cl:28])=[CH:24][CH:23]=3)([CH3:21])[C@@:19]([C:30]3[CH:35]=[CH:34][C:33]([Cl:36])=[CH:32][CH:31]=3)([CH3:29])[N:18]=[C:17]2[C:37]2[CH:38]=[N:39][C:40]([C:46]([CH3:49])([CH3:48])[CH3:47])=[CH:41][C:42]=2[O:43][CH2:44][CH3:45])=[O:15])[CH2:10][CH2:9]1)(C)(C)C.[OH-].[Li+].Cl>CO.O1CCCC1>[ClH:28].[C:46]([C:40]1[N:39]=[CH:38][C:37]([C:17]2[N:16]([C:14]([N:11]3[CH2:10][CH2:9][N:8]([CH2:7][C:6]([OH:50])=[O:5])[CH2:13][CH2:12]3)=[O:15])[C@@:20]([C:22]3[CH:23]=[CH:24][C:25]([Cl:28])=[CH:26][CH:27]=3)([CH3:21])[C@@:19]([C:30]3[CH:31]=[CH:32][C:33]([Cl:36])=[CH:34][CH:35]=3)([CH3:29])[N:18]=2)=[C:42]([O:43][CH2:44][CH3:45])[CH:41]=1)([CH3:47])([CH3:48])[CH3:49]