HRID915935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID20443148

1,4-Dioxane hydrochloride

C4H9ClO2

结构：COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[nH]1

HCID136005794

未命名化合物

PRODUCTS

生成物

结构：COc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[nH]1.[Cl-]

HCID136342086

未命名化合物

收率 56%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3283

Diethyl Ether

C4H10O

PROCEDURE

实验过程

To a 2 ml dioxane solution of 87 mg (0.17 mmol) of the compound obtained in Example 49, 0.1 ml (0.4 mmol) of a 4M dioxane hydrochloride solution was added. Ether was added to the resulting solution, and precipitated solids were collected by filtration. The solids were purified by recrystallization (ethanol) to obtain 52.1 mg (56%) of the captioned compound.

WORKUP

后处理

customprecipitated solids
filtrationwere collected by filtration
customThe solids were purified by recrystallization (ethanol)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c91e458a03244f769e86c0da75b4b5ab
来源数据集: uspto-grants-2007_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07268128B2
来源说明: uspto-grants-2007_09

反应 SMILES

O1CCOCC1.[CH:7]1([C:13]2[C:21]3[C:20](=[O:22])[NH:19][C:18]([C:23]4[CH:28]=[CH:27][C:26]([S:29]([N:32]5[CH2:37][CH2:36][N:35]([CH3:38])[CH2:34][CH2:33]5)(=[O:31])=[O:30])=[CH:25][C:24]=4[O:39][CH3:40])=[N:17][C:16]=3[N:15]([CH3:41])[N:14]=2)[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8]1.[ClH:42].O1CCOCC1>CCOCC>[Cl-:42].[CH:7]1([C:13]2[C:21]3[C:20](=[O:22])[NH:19][C:18]([C:23]4[CH:28]=[CH:27][C:26]([S:29]([N:32]5[CH2:37][CH2:36][N:35]([CH3:38])[CH2:34][CH2:33]5)(=[O:30])=[O:31])=[CH:25][C:24]=4[O:39][CH3:40])=[N:17][C:16]=3[N:15]([CH3:41])[N:14]=2)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1