HRID1293275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID150924

3-Fluorobenzenesulfonamide

C6H6FNO2S

结构：C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1

HCID11683088

未命名化合物

PRODUCTS

生成物

结构：C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)NS(=O)(=O)c2cccc(F)c2)cc1

HCID58905369

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 103 from 4-[(1S)-1-({[5-chloro-2-(4-fluorophenoxy)pyridin-3-yl]carbonyl}amino)ethyl]benzoic acid (step 5 of Example 44) and 3-fluorobenzenesulfonamide: 1H-NMR (CDCl3) δ 8.86 (1H, br.s), 8.51 (1H, d, J=2.6 Hz), 8.13 (1H, d, J=2.6 Hz), 8.14–8.08 (1H, m), 7.98–7.91 (1H, m), 7.89–7.81 (1H, m), 7.73 (2H, d, J=8.3 Hz), 7.61–7.50 (1H, m), 7.42 (2H, d, J=8.3 Hz), 7.40–7.30 (1H, m), 7.21–7.08 (4H, m), 5.37–5.24 (1H, m), 1.57 (3H, d, J=6.8 Hz); MS (ESI) m/z 572 (M+H)+, 570 (M−H)−.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f427bcfdb984dd6ac710e037a0090e0
来源数据集: uspto-grants-2007_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07238714B2
来源说明: uspto-grants-2007_07

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]([C:16]([NH:18][C@H:19]([C:21]2[CH:29]=[CH:28][C:24]([C:25]([OH:27])=O)=[CH:23][CH:22]=2)[CH3:20])=[O:17])[C:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=2)=[N:6][CH:7]=1.[F:30][C:31]1[CH:32]=[C:33]([S:37]([NH2:40])(=[O:39])=[O:38])[CH:34]=[CH:35][CH:36]=1>>[Cl:1][C:2]1[CH:7]=[N:6][C:5]([O:8][C:9]2[CH:10]=[CH:11][C:12]([F:15])=[CH:13][CH:14]=2)=[C:4]([CH:3]=1)[C:16]([NH:18][C@H:19]([C:21]1[CH:29]=[CH:28][C:24]([C:25]([NH:40][S:37]([C:33]2[CH:34]=[CH:35][CH:36]=[C:31]([F:30])[CH:32]=2)(=[O:39])=[O:38])=[O:27])=[CH:23][CH:22]=1)[CH3:20])=[O:17]