HRID735522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(C(Nc3ccc(C#N)cc3)C(=O)O)cc2)cc1CNC(=O)OC(C)(C)C

HCID68818316

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1ccc(NC(=O)CCCc2ccc(C(Nc3ccc(C#N)cc3)C(=O)O)cc2)cc1CN

HCID68817799

未命名化合物

收率 101.3%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

Hydrogen chloride (4N solution in dioxane, 1 mL, 4 mmol) was added to a solution of 15D (78 mg, 0.12 mmol) in ethyl acetate (1 mL). The reaction mixture was stirred at rt overnight and then concentrated to give 15E (65 mg, 100%) as a yellow solid. MS (ESI) m/z 535.0 (M+H)+.

WORKUP

后处理

concentrationconcentrated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c63140e06584b81a86e92e044852ddd
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07592331B2
来源说明: uspto-grants-2009_09

反应 SMILES

Cl.C(OC([NH:9][CH2:10][C:11]1[CH:12]=[C:13]([NH:22][C:23](=[O:46])[CH2:24][CH2:25][CH2:26][C:27]2[CH:32]=[CH:31][C:30]([CH:33]([NH:37][C:38]3[CH:43]=[CH:42][C:41]([C:44]#[N:45])=[CH:40][CH:39]=3)[C:34]([OH:36])=[O:35])=[CH:29][CH:28]=2)[CH:14]=[CH:15][C:16]=1[S:17]([CH2:20][CH3:21])(=[O:19])=[O:18])=O)(C)(C)C>C(OCC)(=O)C>[NH2:9][CH2:10][C:11]1[CH:12]=[C:13]([NH:22][C:23](=[O:46])[CH2:24][CH2:25][CH2:26][C:27]2[CH:32]=[CH:31][C:30]([CH:33]([NH:37][C:38]3[CH:39]=[CH:40][C:41]([C:44]#[N:45])=[CH:42][CH:43]=3)[C:34]([OH:36])=[O:35])=[CH:29][CH:28]=2)[CH:14]=[CH:15][C:16]=1[S:17]([CH2:20][CH3:21])(=[O:18])=[O:19]