HRID1615471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8360

1,3-Dichloro-5,5-dimethylhydantoin

C5H6Cl2N2O2

结构：COc1cc(-c2cc(C3CCN(S(C)(=O)=O)CC3)n3ncnc(N)c23)ccc1Oc1cccc(Cl)c1

HCID66601904

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2c(Cl)c(C3CCN(S(C)(=O)=O)CC3)n3ncnc(N)c23)ccc1Oc1cccc(Cl)c1

HCID49787737

未命名化合物

收率 151.7%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

CONDITIONS

反应条件

温度: 65 °C

PROCEDURE

实验过程

The compound (15.40 mg, 0.029 mmol) prepared in Example 26 and 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione (2.87 mg, 0.015 mmol) were taken up in 2 mL of DMF and heated to 65° C. for 16 hours. The reaction was cooled to room temperature and the DMF removed under vacuum and the reaction mixture submitted for prep-HPLC purification to obtain the title compound (12.8 mg) having the following physical data.

WORKUP

后处理

temperatureThe reaction was cooled to room temperature
customthe DMF removed under vacuum
customthe reaction mixture submitted for prep-HPLC purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-929bf4c8d3b946f8929b40b7276c7062
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08765754B2
来源说明: uspto-grants-2014_07

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]([CH:34]=[CH:35][CH:36]=1)[O:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:13]=[C:14]([CH:22]3[CH2:27][CH2:26][N:25]([S:28]([CH3:31])(=[O:30])=[O:29])[CH2:24][CH2:23]3)[N:15]3[C:20]=2[C:19]([NH2:21])=[N:18][CH:17]=[N:16]3)=[CH:8][C:7]=1[O:32][CH3:33].[Cl:37]N1C(C)(C)C(=O)N(Cl)C1=O>CN(C=O)C>[Cl:37][C:13]1[C:12]([C:9]2[CH:10]=[CH:11][C:6]([O:5][C:4]3[CH:34]=[CH:35][CH:36]=[C:2]([Cl:1])[CH:3]=3)=[C:7]([O:32][CH3:33])[CH:8]=2)=[C:20]2[N:15]([C:14]=1[CH:22]1[CH2:27][CH2:26][N:25]([S:28]([CH3:31])(=[O:29])=[O:30])[CH2:24][CH2:23]1)[N:16]=[CH:17][N:18]=[C:19]2[NH2:21]