HRID1219471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

2 次

HCID16414173

(2-Fluoro-3-methylphenyl)boronic acid

C7H8BFO2

结构：Cc1c(Br)cc([N+](=O)[O-])c(=O)n1CC(F)(F)F

HCID86665194

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(-c2cc([N+](=O)[O-])c(=O)n(CC(F)(F)F)c2C)c1F

HCID86665195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6488f24ea7d47ddaf8b549f6eecbfd4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N+:15](=[O:16])[O-:17])[c:5](=[O:14])[n:6]([CH2:9][C:10]([F:11])([F:12])[F:13])[c:7]1[CH3:8].[C:37]([P:38]([C:39]([CH3:40])([CH3:41])[CH3:42])[C:43]([CH3:44])([CH3:45])[CH3:46])([CH3:47])([CH3:48])[CH3:49].[C:50]([P:51]([C:52]([CH3:53])([CH3:54])[CH3:55])[C:56]([CH3:57])([CH3:58])[CH3:59])([CH3:60])([CH3:61])[CH3:62].[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[F-:29].[F:18][c:19]1[c:20]([B:26]([OH:27])[OH:28])[cH:21][cH:22][cH:23][c:24]1[CH3:25].[K+:30].[Pd:36]>>[c:2]1(-[c:20]2[c:19]([F:18])[c:24]([CH3:25])[cH:23][cH:22][cH:21]2)[cH:3][c:4]([N+:15](=[O:16])[O-:17])[c:5](=[O:14])[n:6]([CH2:9][C:10]([F:11])([F:12])[F:13])[c:7]1[CH3:8]