HRID1984842

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

HCID68869313

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1ccc(Oc2ccc3cc(C(=O)N[C@H](Cc4ccsc4)C(=O)O)nc(CC4CCCC4)c3c2)cc1

HCID57717761

未命名化合物

收率 94.9%

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 (2R)-amino-3-thiophen-3-yl-propionic acid methyl ester HCl (28.1 mg, 0.14 mmol) as described in general procedure A. The resulting ester was hydrolyzed as described in general procedure C to afford 63.4 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-c90866c1c581435c97577bf005eaf404
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:43])[C@H:35]([NH2:42])[CH2:36][C:37]1[CH:41]=[CH:40][S: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:42][C@H:35]([CH2:36][C:37]4[CH:41]=[CH:40][S:39][CH:38]=4)[C:34]([OH:33])=[O:43])=[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]