HRID891130

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID574964

2,4-Difluorobenzenesulfonamide

C6H5F2NO2S

结构：Cc1nn(-c2ccc(CCNC(=O)Oc3ccccc3)cc2)c(C)c1-c1cccc(C(N)=O)c1

HCID22244565

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2ccc(CCNC(=O)NS(=O)(=O)c3ccc(F)cc3F)cc2)c(C)c1-c1cccc(C(N)=O)c1

HCID22244668

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to the procedure described in step 1 of Example 42 from phenyl 2-(4-{4-[3-(aminocarbonyl)phenyl]-3,5-dimethyl-1H-pyrazol-1-yl}phenyl)ethylcarbamate (step 6 of example 72) and 2,4-difluorobenzensulfonamide: MS (ESI) m/z 554 [M+H]+, 552 [M−H]−, 1H-NMR (CDCl3) δ 8.00-7.98 (1H, m), 7.83-7.73 (3H, m), 7.56-7.44 (2H, m), 7.22 (4H, s), 7.05-6.94 (1H, m), 6.20 (1H, br.s), 5.66 (1H, br.s), 3.47 (2H, t, J=6.2 Hz), 2.85 (2H, t, J=6.2 Hz), 2.21 (3H, s), 2.20 (3H, s).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ab8beeca5c847d088a3e041baf66788
来源数据集: uspto-grants-2006_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07001917B2
来源说明: uspto-grants-2006_02

反应 SMILES

[NH2:1][C:2]([C:4]1[CH:5]=[C:6]([C:10]2[C:11]([CH3:34])=[N:12][N:13]([C:16]3[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][NH:24][C:25](=[O:33])OC4C=CC=CC=4)=[CH:18][CH:17]=3)[C:14]=2[CH3:15])[CH:7]=[CH:8][CH:9]=1)=[O:3].[F:35][C:36]1[CH:41]=[C:40]([F:42])[CH:39]=[CH:38][C:37]=1[S:43]([NH2:46])(=[O:45])=[O:44]>>[F:35][C:36]1[CH:41]=[C:40]([F:42])[CH:39]=[CH:38][C:37]=1[S:43]([NH:46][C:25]([NH:24][CH2:23][CH2:22][C:19]1[CH:18]=[CH:17][C:16]([N:13]2[C:14]([CH3:15])=[C:10]([C:6]3[CH:5]=[C:4]([CH:9]=[CH:8][CH:7]=3)[C:2]([NH2:1])=[O:3])[C:11]([CH3:34])=[N:12]2)=[CH:21][CH:20]=1)=[O:33])(=[O:44])=[O:45]