HRID1024795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5175065

未命名化合物

反应SMILES：CC(C)(C)OC(=O)NCc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)O)c2)cc1

HCID66818851

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NCc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)OC3CCC(NC(=O)OCc4ccccc4)CC3)c2)cc1

HCID66818757

未命名化合物

收率 39.1%

PROCEDURE

实验过程

Following the procedure of Example 9(e) 3-[4-(tert-butoxycarbonylamino-methyl)-phenoxy]-5-(4-cyano-phenoxy)-benzoic acid (0.85 g, 1.85 mmol) and (4-hydroxy-cyclohexyl)-carbamic acid benzyl ester (0.50 g, 2.03 mmol) were used to afford 0.5 g of the required product. Percentage purity (LCMS): 67.0%, (M+1) 691.2+1.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ce8662f87b6549879a5bc0b1d9152008
来源数据集: uspto-grants-2014_05
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08722930B2
来源说明: uspto-grants-2014_05

反应SMILES

[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:34]=[CH:33][C:13]([O:14][C:15]2[CH:16]=[C:17]([CH:21]=[C:22]([O:24][C:25]3[CH:30]=[CH:29][C:28]([C:31]#[N:32])=[CH:27][CH:26]=3)[CH:23]=2)[C:18]([OH:20])=[O:19])=[CH:12][CH:11]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH2:35]([O:42][C:43](=[O:52])[NH:44][CH:45]1[CH2:50][CH2:49][CH:48](O)[CH2:47][CH2:46]1)[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1>>[CH2:35]([O:42][C:43]([NH:44][CH:45]1[CH2:50][CH2:49][CH:48]([O:19][C:18](=[O:20])[C:17]2[CH:21]=[C:22]([O:24][C:25]3[CH:26]=[CH:27][C:28]([C:31]#[N:32])=[CH:29][CH:30]=3)[CH:23]=[C:15]([O:14][C:13]3[CH:33]=[CH:34][C:10]([CH2:9][NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:7])=[CH:11][CH:12]=3)[CH:16]=2)[CH2:47][CH2:46]1)=[O:52])[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1