HRID1864373

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5238

Sodium Iodide

INa

HCID14798

Sodium Hydroxide

HNaO

HCID70542

1-(2,5-Xylyl)piperazine

C12H18N2

HCID76833

Benzene, 1-chloro-2-isocyanato-

C7H4ClNO

HCID86623479

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4cc(C)ccc4C)CC3)N(c3ccccc3Cl)C2=O)c1

HCID25027931

未命名化合物

PROCEDURE

实验过程

In analogy to example 1, (RS)-1-(3-methoxy-benzenesulfonyl)-aziridine-2-carboxylic acid methyl ester (step 2 of example 1) was first reacted with sodium iodide and 2-chlorophenylisocyanate; subsequent ester hydrolysis using sodium hydroxide and coupling with 1-(2,5-dimethylphenyl)-piperazine gave the title compound as a colorless solid. MS: 583.3 ([M+H]+)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-258f8802a95d40cc8884c7bb3f0eb6c7
来源数据集: uspto-grants-2009_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07625902B2
来源说明: uspto-grants-2009_12

反应 SMILES

CO[C:3]([CH:5]1[CH2:7][N:6]1[S:8]([C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH3:18])[CH:12]=1)(=[O:10])=[O:9])=[O:4].[I-].[Na+].[Cl:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[N:28]=[C:29]=[O:30].[OH-].[Na+].[CH3:33][C:34]1[CH:39]=[CH:38][C:37]([CH3:40])=[CH:36][C:35]=1[N:41]1[CH2:46][CH2:45][NH:44][CH2:43][CH2:42]1>>[Cl:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=1[N:28]1[CH:5]([C:3]([N:44]2[CH2:45][CH2:46][N:41]([C:35]3[CH:36]=[C:37]([CH3:40])[CH:38]=[CH:39][C:34]=3[CH3:33])[CH2:42][CH2:43]2)=[O:4])[CH2:7][N:6]([S:8]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH3:18])[CH:12]=2)(=[O:9])=[O:10])[C:29]1=[O:30]