HRID891120

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID193663

2-Fluorobenzenesulfonamide

C6H6FNO2S

结构：Cc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1

HCID22244671

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccccc2F)cc1

HCID11713669

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-[5-methyl-4-phenyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}ethylcarbamate (step 7 of Example 52) and 2-fluoro-benzenesulfonamide: MS (ESI) m/z 547 [M+H]+, 545 [M−H]−, 1H-NMR (CDCl3) δ 7.86-7.81 (1H, m), 7.74-7.58 (1H, m), 7.48-7.24 (1H, m), 6.45 (1H, br.s) 3.54-3.49 (2H, m), 2.87 (2H, t, J=6.7 Hz), 2.23 (3H, s).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3863af43450c4862a88f6d4e9fa24c05
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

[CH3:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][C:10]([CH2:13][CH2:14][NH:15][C:16](=[O:24])OC3C=CC=CC=3)=[CH:9][CH:8]=2)[N:5]=[C:4]([C:25]([F:28])([F:27])[F:26])[C:3]=1[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.[F:35][C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][C:37]=1[S:42]([NH2:45])(=[O:44])=[O:43]>>[F:35][C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][C:37]=1[S:42]([NH:45][C:16]([NH:15][CH2:14][CH2:13][C:10]1[CH:9]=[CH:8][C:7]([N:6]2[C:2]([CH3:1])=[C:3]([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[C:4]([C:25]([F:27])([F:26])[F:28])=[N:5]2)=[CH:12][CH:11]=1)=[O:24])(=[O:44])=[O:43]