HRID110143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID9590

1-Fluoro-4-nitrobenzene

C6H4FNO2

HCID16028

Tetrabutylammonium

C16H36N+

HCID20187544

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1ccc(OC(c2ccc(Cl)cc2Cl)C(F)n2cncn2)cc1

HCID20187571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-532497409f644b1abe1e879aff88c46a
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-:30].[CH3:31][CH2:32][CH2:33][CH2:34][N+:35]([CH2:36][CH2:37][CH2:38][CH3:39])([CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH3:47].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[Cl:1][c:2]1[c:3]([CH:9]([CH:10]([n:11]2[n:12][cH:13][n:14][cH:15]2)[F:16])[OH:17])[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[N+:20](=[O:21])([O-:22])[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1.[Na+:19].[OH-:18]>>[Cl:1][c:2]1[c:3]([CH:9]([CH:10]([n:11]2[n:12][cH:13][n:14][cH:15]2)[F:16])[O:17][c:26]2[cH:25][cH:24][c:23]([N+:20](=[O:21])[O-:22])[cH:28][cH:27]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1