HRID2403998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

$结构：Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c2c1OC(C)(C)C2$

HCID178427607

未命名化合物

PRODUCTS

生成物

$结构：Cc1c(C)c(S(=O)(=O)/N=C(\N)NCCC[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCNCC2)c(C)c2c1OC(C)(C)C2$

HCID178427605

未命名化合物

收率 100%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

2 次

PROCEDURE

实验过程

To a solution of compound V (36.6 g, 46.2 mmol) in dioxane (60 mL) was added 4M HCl in dioxane (58 mL) dropwise. The reaction mixture was stirred at room temperature for 1.5 h. Et2O (600 mL) was added to the reaction mixture, precipitated product was filtered off, washed with Et2O and finally dried under vacuum to afford compound W (34.5 g, 46.2 mmol). LC-MS [M+H]685.4 (C33H44N6O6S2+H, calc: 685.9). Compound W was used without further purification.

WORKUP

后处理

customprecipitated product
filtrationwas filtered off
washwashed with Et2O
customfinally dried under vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-baa979446a3640d3afda60f15740bbd1
来源数据集: uspto-grants-2014_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08802681B2
来源说明: uspto-grants-2014_08

反应 SMILES

C(OC([N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:54])[C@@H:15]([NH:40][S:41]([C:44]2[CH:53]=[CH:52][C:51]3[C:46](=[CH:47][CH:48]=[CH:49][CH:50]=3)[CH:45]=2)(=[O:43])=[O:42])[CH2:16][CH2:17][CH2:18][NH:19]/[C:20](/[NH2:39])=[N:21]/[S:22]([C:25]2[C:26]([CH3:38])=[C:27]([CH3:37])[C:28]3[O:32][C:31]([CH3:34])([CH3:33])[CH2:30][C:29]=3[C:35]=2[CH3:36])(=[O:24])=[O:23])[CH2:10][CH2:9]1)=O)(C)(C)C.Cl.CCOCC>O1CCOCC1>[NH2:39]/[C:20](=[N:21]\[S:22]([C:25]1[C:26]([CH3:38])=[C:27]([CH3:37])[C:28]2[O:32][C:31]([CH3:34])([CH3:33])[CH2:30][C:29]=2[C:35]=1[CH3:36])(=[O:24])=[O:23])/[NH:19][CH2:18][CH2:17][CH2:16][C@H:15]([NH:40][S:41]([C:44]1[CH:53]=[CH:52][C:51]2[C:46](=[CH:47][CH:48]=[CH:49][CH:50]=2)[CH:45]=1)(=[O:43])=[O:42])[C:14](=[O:54])[N:11]1[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]1