HRID219935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID58443344

未命名化合物

结构：CN(CC(=O)OC(C)(C)C)Cc1cccc(C(N)=NO)c1

HCID72307500

未命名化合物

PRODUCTS

生成物

结构：CC1CCCCN1c1ccc(-c2nc(-c3cccc(CN(C)CC(=O)OC(C)(C)C)c3)no2)cc1NS(C)(=O)=O

HCID67528795

未命名化合物

PROCEDURE

实验过程

The title compound was prepared following procedure described for example 4, step 1, but starting from Intermediate 51 (440.05 mg; 1.50 mmol), and Intermediate 25 (562.30 mg; 1.80 mmol). The reaction mixture was filtered through a SPE NH2 column (2 g) and rinsed with ACN. The filtrate was passed through a SPE SCX column (2 g) and rinsed with ACN. After evaporation of the solvents, the crude product was purified by flash chromatography over Alumina column (c-hex/EtOAc: 9.5/0.5), affording the title compound as an off-white powder. HPLC (Method A) Rt 4.76 min (Purity: 96.7%).

WORKUP

后处理

customThe title compound was prepared following procedure
filtrationThe reaction mixture was filtered through a SPE NH2 column (2 g)
washrinsed with ACN
washrinsed with ACN
customAfter evaporation of the solvents
customthe crude product was purified by flash chromatography over Alumina column (c-hex/EtOAc: 9.5/0.5)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da59ad06e12d4c528a6833d5c101c79e
来源数据集: uspto-grants-2012_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08202865B2
来源说明: uspto-grants-2012_06

反应 SMILES

[NH2:1][C:2](=[N:20][OH:21])[C:3]1[CH:4]=[C:5]([CH:17]=[CH:18][CH:19]=1)[CH2:6][N:7]([CH2:9][C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH3:8].[CH3:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][N:24]1[C:29]1[CH:37]=[CH:36][C:32]([C:33](O)=O)=[CH:31][C:30]=1[NH:38][S:39]([CH3:42])(=[O:41])=[O:40]>>[CH3:8][N:7]([CH2:6][C:5]1[CH:17]=[CH:18][CH:19]=[C:3]([C:2]2[N:1]=[C:33]([C:32]3[CH:36]=[CH:37][C:29]([N:24]4[CH2:25][CH2:26][CH2:27][CH2:28][CH:23]4[CH3:22])=[C:30]([NH:38][S:39]([CH3:42])(=[O:41])=[O:40])[CH:31]=3)[O:21][N:20]=2)[CH:4]=1)[CH2:9][C:10]([O:12][C:13]([CH3:15])([CH3:16])[CH3:14])=[O:11]