HRID1984845

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CC(C)(C)c1ccc(Oc2ccc3cc(C(=O)O)nc(CC4CCCC4)c3c2)cc1

HCID18457633

未命名化合物

反应SMILES：COC(=O)[C@@H](N)Cc1ccc(C(C)(C)C)cc1.Cl

HCID68868024

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1ccc(C[C@H](NC(=O)c2cc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3c(CC3CCCC3)n2)C(=O)O)cc1

HCID57717684

未命名化合物

收率 98.1%

PROCEDURE

实验过程

50 mg (0.12 mmol) of 7-(4-tert-butyl-phenoxy)-1-cyclopentylmethyl-isoquinoline-3-carboxylic acid (Example 419) was reacted with (2S)-amino-3-(4-tert-butyl-phenyl)-propionic acid methyl ester HCl (36.8 mg, 0.14 mmol) as described in general procedure A. The resulting ester was hydrolyzed as described in general procedure C to afford 71.4 mg of the title compound as a white solid.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8fea42f6655c461c8200a6d9cb030efd
来源数据集: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07544699B2
来源说明: uspto-grants-2009_06

反应SMILES

[C:1]([C:5]1[CH:30]=[CH:29][C:8]([O:9][C:10]2[CH:19]=[C:18]3[C:13]([CH:14]=[C:15]([C:26](O)=[O:27])[N:16]=[C:17]3[CH2:20][CH:21]3[CH2:25][CH2:24][CH2:23][CH2:22]3)=[CH:12][CH:11]=2)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].Cl.C[O:33][C:34](=[O:48])[C@@H:35]([NH2:47])[CH2:36][C:37]1[CH:42]=[CH:41][C:40]([C:43]([CH3:46])([CH3:45])[CH3:44])=[CH:39][CH:38]=1>>[C:1]([C:5]1[CH:30]=[CH:29][C:8]([O:9][C:10]2[CH:19]=[C:18]3[C:13]([CH:14]=[C:15]([C:26]([NH:47][C@@H:35]([CH2:36][C:37]4[CH:42]=[CH:41][C:40]([C:43]([CH3:46])([CH3:45])[CH3:44])=[CH:39][CH:38]=4)[C:34]([OH:33])=[O:48])=[O:27])[N:16]=[C:17]3[CH2:20][CH:21]3[CH2:22][CH2:23][CH2:24][CH2:25]3)=[CH:12][CH:11]=2)=[CH:7][CH:6]=1)([CH3:4])([CH3:2])[CH3:3]