HRID1366848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736675

2-Chloro-4-(trifluoromethyl)benzenesulfonyl chloride

C7H3Cl2F3O2S

HCID21710338

5-Bromo-6-ethylpyridin-2-amine

C7H9BrN2

HCID57718313

未命名化合物

PRODUCTS

生成物

结构：CCc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)ccc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1

HCID57718194

未命名化合物

PROCEDURE

实验过程

Prepared from 2-amino-5-bromo-6-ethylpyridine and 4-(N -morpholinylsulfonyl)thiophenol according to General Method 11 step 1 followed by reaction with 2-chloro-4-trifluoromethylphenylsulfonyl chloride according to General Method 11 step 2. 1H NMR (CDCl3): 8.41 (1 H, d, J 10 Hz, A-ring CH ortho to SO2NH), 7.81-7.63 (5 H, m, Ar CH's), 7.20 (2 H, d, 2×C-ring CH's), 6.94 (1 H, d, J 10 Hz, pyridyl CH's), 3.83-3.77 (4H, m, CH2OCH2), 3.09-2.98 (4H, m, CH2NCH2), 2.93 (3H, q, J 9 Hz, CH2CH3), 1.31 (3 H, t, J 9 Hz, CH2CH3). Hplc (Luna 2, Gradient 5): rt=6.26 minutes. LC/MS rt=6.92 minutes, 622 (MH+).

WORKUP

后处理

customrt=6.26 minutes
customLC/MS rt=6.92 minutes, 622 (MH+)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7228d2d6cabe4859a59bf605f2c018e2
来源数据集: uspto-grants-2011_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07893077B2
来源说明: uspto-grants-2011_02

反应 SMILES

[NH2:1][C:2]1[CH:7]=[CH:6][C:5](Br)=[C:4]([CH2:9][CH3:10])[N:3]=1.[N:11]1([S:17]([C:20]2[CH:25]=[CH:24][C:23]([SH:26])=[CH:22][CH:21]=2)(=[O:19])=[O:18])[CH2:16][CH2:15][O:14][CH2:13][CH2:12]1.[Cl:27][C:28]1[CH:33]=[C:32]([C:34]([F:37])([F:36])[F:35])[CH:31]=[CH:30][C:29]=1[S:38](Cl)(=[O:40])=[O:39]>>[Cl:27][C:28]1[CH:33]=[C:32]([C:34]([F:36])([F:35])[F:37])[CH:31]=[CH:30][C:29]=1[S:38]([NH:1][C:2]1[CH:7]=[CH:6][C:5]([S:26][C:23]2[CH:22]=[CH:21][C:20]([S:17]([N:11]3[CH2:12][CH2:13][O:14][CH2:15][CH2:16]3)(=[O:19])=[O:18])=[CH:25][CH:24]=2)=[C:4]([CH2:9][CH3:10])[N:3]=1)(=[O:40])=[O:39]