HRID105011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID16272

Benzonitrile, 2-bromo-

C7H4BrN

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：CC1(C)OB(c2cc([N+](=O)[O-])ccc2F)OC1(C)C

HCID3833297

2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H15BFNO4

PRODUCTS

生成物

HCID11447861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0589824fdd0f4a40811ced5301318a57
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:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[C:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])([CH3:42])[CH3:43].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[F-:29].[F:10][c:11]1[c:12]([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1.[K+:30].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[OH2:55].[Pd:56].[Pd:57]>>[c:2]1(-[c:12]2[c:11]([F:10])[cH:16][cH:15][c:14]([N+:17](=[O:18])[O-:19])[cH:13]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1