HRID1984600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID204419

Benzenesulfonyl chloride, 2,4-dichloro-

C6H3Cl3O2S

HCID45789790

5-Bromo-6-(trifluoromethyl)pyridin-2-amine

C6H4BrF3N2

HCID57718313

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(Nc1ccc(Sc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C(F)(F)F)n1)c1ccc(Cl)cc1Cl

HCID57718278

未命名化合物

PROCEDURE

实验过程

Prepared from 2-amino-5-bromo-6-trifluoromethylpyridine and 4-(N-morpholinylsulfonyl)thiophenol according to General Method 11 step 1 followed by reaction with 2,4-dichlorophenylsulfonyl chloride according to General Method 11 step 2. 1H NMR (CDCl3): 8.10 (1H, d, J 10 Hz, A-ring CH ortho to SO2NH), 7.62 & 7.35 (2×1 H, 2×d, 2×J 10 Hz, pyridyl CH's), 7.56 & 7.18 (2×2H, 2×d, 2×J 10 Hz, C-ring CH's), 7.45 (1H, s, A ring CH ortho to 2×Cl), 7.20 (1H, d, J 10 Hz, A-ring CH ortho to Cl), 3.71-3.63 (4H, m, CH2OCH2), 2.93-2.85 (4H, m, CH2NCH2). Hplc (Luna 2, Gradient 5): rt=6.39 minutes. LC/MS rt=7.06 minutes, 628/630 (MH+).

WORKUP

后处理

customrt=6.39 minutes
customLC/MS rt=7.06 minutes, 628/630 (MH+)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3546353a9124982b2669dd87e344737
来源数据集: uspto-grants-2009_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07544702B2
来源说明: uspto-grants-2009_06

反应 SMILES

[NH2:1][C:2]1[CH:7]=[CH:6][C:5](Br)=[C:4]([C:9]([F:12])([F:11])[F:10])[N:3]=1.[N:13]1([S:19]([C:22]2[CH:27]=[CH:26][C:25]([SH:28])=[CH:24][CH:23]=2)(=[O:21])=[O:20])[CH2:18][CH2:17][O:16][CH2:15][CH2:14]1.[Cl:29][C:30]1[CH:35]=[C:34]([Cl:36])[CH:33]=[CH:32][C:31]=1[S:37](Cl)(=[O:39])=[O:38]>>[Cl:29][C:30]1[CH:35]=[C:34]([Cl:36])[CH:33]=[CH:32][C:31]=1[S:37]([NH:1][C:2]1[CH:7]=[CH:6][C:5]([S:28][C:25]2[CH:24]=[CH:23][C:22]([S:19]([N:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)(=[O:21])=[O:20])=[CH:27][CH:26]=2)=[C:4]([C:9]([F:12])([F:11])[F:10])[N:3]=1)(=[O:39])=[O:38]