HRID418072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14798

Sodium Hydroxide

HNaO

反应SMILES：CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(-c3ccncn3)cc(S(C)(=O)=O)c2)c1CCC(=O)OCC

HCID57863117

未命名化合物

PRODUCTS

产物

反应SMILES：CS(=O)(=O)c1cc(OCCCCCCc2cccc(OCCCC(=O)O)c2CCC(=O)O)cc(-c2ccncn2)c1

HCID57863074

未命名化合物

PROCEDURE

实验过程

Title compound was prepared according to a similar procedure described in Example 21, step 2 by reaction of 4-{2-(2-ethoxycarbonyl-ethyl)-3-[6-(3-methanesulfonyl-5-pyrimidin-4-yl-phenoxy)-hexyl]-phenoxy}-butyric acid ethyl ester (164 mg) with 3 N NaOH (1 mL). Preparative HPLC provided the title compound. LC/MS indicated a purity of 84% as measured by UV 214 nM. HR-ES(+): calculated for C30H37N2O8S (M+H)1+ 582.2265, found 585.2267.

WORKUP

后处理

customTitle compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-50ea0fe2940542d28d8a7810219fcdc5
来源数据集: uspto-grants-2012_01
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08093253B2
来源说明: uspto-grants-2012_01

反应SMILES

C([O:3][C:4](=[O:45])[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:27]=[C:26]([C:28]3[CH:33]=[CH:32][N:31]=[CH:30][N:29]=3)[CH:25]=[C:24]([S:34]([CH3:37])(=[O:36])=[O:35])[CH:23]=2)[C:10]=1[CH2:38][CH2:39][C:40]([O:42]CC)=[O:41])C.[OH-].[Na+]>>[C:40]([CH2:39][CH2:38][C:10]1[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:27]=[C:26]([C:28]3[CH:33]=[CH:32][N:31]=[CH:30][N:29]=3)[CH:25]=[C:24]([S:34]([CH3:37])(=[O:36])=[O:35])[CH:23]=2)=[CH:12][CH:13]=[CH:14][C:9]=1[O:8][CH2:7][CH2:6][CH2:5][C:4]([OH:45])=[O:3])([OH:42])=[O:41]