HRID140553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID28179

Fluoride

F-

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID93654

2-Bromo-5-fluorobenzonitrile

C7H3BrFN

结构：CC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1

HCID22273592

1-[4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-one

C14H18BFO3

PRODUCTS

生成物

HCID22273599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc658d04fbe84cb0a24625f680e876d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:20][c:21]1[c:22]([C:23]#[N:24])[cH:25][c:26]([F:29])[cH:27][cH:28]1.[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])([CH3:43])[CH3:44].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[Cl:51][CH2:52][Cl:53].[F-:30].[F:1][c:2]1[c:3]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1.[K+:31].[OH2:50]>>[F:1][c:2]1[c:3](-[c:21]2[c:22]([C:23]#[N:24])[cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1