HRID293942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID69871

1,2,3-Trifluoro-4-nitrobenzene

C6H2F3NO2

HCID94392

2,6-Difluorophenol

C6H4F2O

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(Oc2c(F)cccc2F)c(F)c1F

HCID23145286

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b0fded688e54c33a17b8288027d439f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:29].[CH3:10][N:11]1[CH2:12][CH2:13][CH2:14][C:15]1=[O:16].[CH3:30][CH2:31][CH2:32][CH2:33][N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[F:17][c:18]1[c:19]([N+:26](=[O:27])[O-:28])[cH:20][cH:21][c:22]([F:25])[c:23]1[F:24].[F:1][c:2]1[c:3]([OH:9])[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3]([O:9][c:22]2[cH:21][cH:20][c:19]([N+:26](=[O:27])[O-:28])[c:18]([F:17])[c:23]2[F:24])[c:4]([F:8])[cH:5][cH:6][cH:7]1