HRID1348924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11906

2-Chlorobenzyl chloride

C7H6Cl2

结构：CC(=O)N1Cc2c(C(N)=O)nn(-c3ccc4c(c3)OCO4)c2-c2cc(N)ccc21.CC(=O)O

HCID10138855

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1Cc2c(C(N)=O)nn(-c3ccc4c(c3)OCO4)c2-c2cc(NC(=O)c3ccccc3Cl)ccc21

HCID10301998

未命名化合物

收率 25%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1049

Pyridine

C5H5N

PROCEDURE

实验过程

The title material from Example 17 (280 mg, 0.00072 mol) and 2-chlorobenzyl chloride (126 mg, 0.00072 mol, d=1.382 g/mol, 91 μL) were dissolved in pyridine (2 mL) and stirred for 4 hours. The pyridine was removed in vacuo and the resulting material was purified via HPLC to give the title compound. 95 mg (MW=529.93, 25% yield). LC/MS m/z=530.96 (m+1).

WORKUP

后处理

customThe pyridine was removed in vacuo
customthe resulting material was purified via HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c7d5dc851ea45d09882baa799ee63a8
来源数据集: uspto-grants-2007_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07211597B2
来源说明: uspto-grants-2007_05

反应 SMILES

[C:1]([OH:4])(=O)[CH3:2].[C:5]([N:8]1[C:17]2[CH:16]=[CH:15][C:14]([NH2:18])=[CH:13][C:12]=2[C:11]2[N:19]([C:25]3[CH:33]=[CH:32][C:28]4[O:29][CH2:30][O:31][C:27]=4[CH:26]=3)[N:20]=[C:21]([C:22]([NH2:24])=[O:23])[C:10]=2[CH2:9]1)(=[O:7])[CH3:6].[Cl:34][C:35]1C=[CH:41][CH:40]=[CH:39][C:36]=1CCl>N1C=CC=CC=1>[C:5]([N:8]1[C:17]2[CH:16]=[CH:15][C:14]([NH:18][C:1](=[O:4])[C:2]3[CH:41]=[CH:40][CH:39]=[CH:36][C:35]=3[Cl:34])=[CH:13][C:12]=2[C:11]2[N:19]([C:25]3[CH:33]=[CH:32][C:28]4[O:29][CH2:30][O:31][C:27]=4[CH:26]=3)[N:20]=[C:21]([C:22]([NH2:24])=[O:23])[C:10]=2[CH2:9]1)(=[O:7])[CH3:6]