HRID1557561

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID118940

tert-Butyl 2-hydroxy-2-methylpropanoate

C8H16O3

HCID166653

Hydride

H-

结构：O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC1(c1cc(Br)ccc1F)C(F)F

HCID86650267

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(C)(C)OCC(NS(=O)(=O)c1ccccc1[N+](=O)[O-])(c1cc(Br)ccc1F)C(F)F

HCID66665802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a448e563ffc4aef812c4e815dfe0aa4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:14][c:15]1[cH:16][cH:17][c:18]([F:39])[c:19]([C:21]2([CH:36]([F:37])[F:38])[N:22]([S:24](=[O:25])(=[O:26])[c:27]3[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]3)[CH2:23]2)[cH:20]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[H-:12].[Na+:13].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH:1][C:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[CH3:11]>>[O:1]([C:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[CH3:11])[CH2:23][C:21]([c:19]1[c:18]([F:39])[cH:17][cH:16][c:15]([Br:14])[cH:20]1)([NH:22][S:24](=[O:25])(=[O:26])[c:27]1[c:28]([N+:33](=[O:34])[O-:35])[cH:29][cH:30][cH:31][cH:32]1)[CH:36]([F:37])[F:38]