HRID1824877

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70018

Benzenesulfonamide, p-(trifluoromethyl)-

C7H6F3NO2S

$结构：CC/C(=C(\c1ccccc1)c1ccc(C=CC(=O)O)cc1)c1ccccc1$

HCID3036152

未命名化合物

PRODUCTS

生成物

结构：CCC(=C(c1ccccc1)c1ccc(C=CC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1)c1ccccc1

HCID69780578

未命名化合物

PROCEDURE

实验过程

Prepared by coupling 1a and 4-(trifluoromethyl)-benzenesulfonamide (Synlett, 1997, 375) in accordance with Procedure 1, Method B described hereinabove. Yield (18%); 1H NMR (d6-DMSO) δ 12.46 (br s, 1H), 8.11 (d, J=8.5 Hz, 2H), 7.99 (d, J=8.5 Hz, 2H), 7.40–7.07 (m, 13H), 6.84 (d, J=8.1 Hz, 2H), 6.40 (d, J=15.7 Hz, 1H), 2.35 (q, J=7.3 Hz, 2H), 0.81 (t, J=7.3 Hz, 3H); APcI m/z: 562 (M+H+).

WORKUP

后处理

customPrepared
customYield (18%)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1845eabeb0334af383295056a1f54fd4
来源数据集: uspto-grants-2006_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07045540B2
来源说明: uspto-grants-2006_05

反应 SMILES

[C:1]1(/[C:7](/[C:17]2[CH:22]=[CH:21][C:20]([CH:23]=[CH:24][C:25](O)=[O:26])=[CH:19][CH:18]=2)=[C:8](/[C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)\[CH2:9][CH3:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[F:28][C:29]([F:41])([F:40])[C:30]1[CH:35]=[CH:34][C:33]([S:36]([NH2:39])(=[O:38])=[O:37])=[CH:32][CH:31]=1>>[C:1]1([C:7]([C:17]2[CH:22]=[CH:21][C:20]([CH:23]=[CH:24][C:25]([NH:39][S:36]([C:33]3[CH:32]=[CH:31][C:30]([C:29]([F:28])([F:40])[F:41])=[CH:35][CH:34]=3)(=[O:37])=[O:38])=[O:26])=[CH:19][CH:18]=2)=[C:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[CH2:9][CH3:10])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1