HRID1676999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

结构：CCOC(=O)c1c(S(=O)(=O)Cl)c2cc(I)ccc2n1S(=O)(=O)c1ccccc1

HCID86601816

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c2cc(I)ccc2n1S(=O)(=O)c1ccccc1

HCID67375255

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

溶剂HCID8857

Ethyl acetate

C4H8O2

PROCEDURE

实验过程

The product from Example 4 Step C (235 mg) was combined with Boc-ethylenediamine (74 μL) and triethylamine (178 μL) in 3 mL of dichloromethane and stirred at room temperature for 1 hour. The reaction was diluted with EtOAc and washed with saturated NaHCO3 and brine, dried over Na2SO4 and concentrated in vacuo. The crude product was purified by flash chromatography on silica gel using EtOAc/hexane as mobile phase to give the titled compound. ESI+ MS: 678 [M+H]+.

WORKUP

后处理

washwashed with saturated NaHCO3 and brine
dry with materialdried over Na2SO4
concentrationconcentrated in vacuo
customThe crude product was purified by flash chromatography on silica gel

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a40fc2bbbe1b484e9d67af870a9a8e4f
来源数据集: uspto-grants-2011_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08008295B2
来源说明: uspto-grants-2011_08

反应 SMILES

[I:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([S:11]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)(=[O:13])=[O:12])[C:6]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[C:5]2[S:25](Cl)(=[O:27])=[O:26].[C:29]([NH:36][CH2:37][CH2:38][NH2:39])([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30].C(N(CC)CC)C>ClCCl.CCOC(C)=O>[C:32]([O:31][C:29]([NH:36][CH2:37][CH2:38][NH:39][S:25]([C:5]1[C:4]2[C:8](=[CH:9][CH:10]=[C:2]([I:1])[CH:3]=2)[N:7]([S:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)(=[O:13])=[O:12])[C:6]=1[C:20]([O:22][CH2:23][CH3:24])=[O:21])(=[O:27])=[O:26])=[O:30])([CH3:35])([CH3:34])[CH3:33]