HRID1396249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=C[C@H]1O[C@@H]2SC(N(C)C(=O)OC(C)(C)C)=N[C@@H]2[C@@H](OCc2ccc(OC)cc2)[C@@H]1OCc1ccc(OC)cc1

HCID69280781

未命名化合物

PRODUCTS

生成物

结构：CC[C@H]1O[C@@H]2SC(N(C)C(=O)OC(C)(C)C)=N[C@@H]2C(OCc2ccc(OC)cc2)[C@@H]1OCc1ccc(OC)cc1

HCID86701106

未命名化合物

收率 90.6%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID935

Nickel

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

A solution of above crude compound 45 (220 mg, purity 50%) was dissolved into ethanol (15 mL) and treated with Ranney Ni (100 mg) under H2 atmosphere overnight at room temperature. After filtration, the organic solution was concentrated to give crude compound 46 (200 mg, purity 48% by LC-MS), which was used in the next step without further purification. (ES, m/z): [M+H]+ 573.0.

WORKUP

后处理

filtrationAfter filtration
concentrationthe organic solution was concentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-602f411952ff470e970282097453e753
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08901087B2
来源说明: uspto-grants-2014_12

反应 SMILES

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