HRID88453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID28557

18-Crown-6

C12H24O6

HCID2736286

4-Bromo-2,5-difluoronitrobenzene

C6H2BrF2NO2

HCID2773684

6-chloro-2-fluoro-3-methylphenol

C7H6ClFO

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Cl)c(Oc2cc(Br)c(F)cc2[N+](=O)[O-])c1F

HCID68487165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed61820e16df4ad982a5b104360d1b3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:35][c:36]1[c:37]([F:46])[cH:38][c:39]([N+:43](=[O:44])[O-:45])[c:40]([F:42])[cH:41]1.[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:47][S:48]([CH3:49])=[O:50].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH3:10])[c:6]([F:9])[c:7]1[OH:8].[K+:34].[O:11]1[CH2:12][CH2:13][O:14][CH2:15][CH2:16][O:17][CH2:18][CH2:19][O:20][CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH3:10])[c:6]([F:9])[c:7]1[O:8][c:40]1[c:39]([N+:43](=[O:44])[O-:45])[cH:38][c:37]([F:46])[c:36]([Br:35])[cH:41]1