HRID172652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

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

HCID13732746

3-Bromo-2,4-difluoroaniline

C6H4BrF2N

HCID22180790

5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

C13H15BFNO2

PRODUCTS

生成物

HCID22240097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddea0a0949b6451295266220b3dac271
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:1][c:2]1[c:3]([F:10])[c:4]([NH2:9])[cH:5][cH:6][c:7]1[F:8].[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].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[F-:29].[F:11][c:12]1[cH:13][cH:14][c:15]([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[c:16]([C:17]#[N:18])[cH:19]1.[K+:30].[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH-:44].[OH2:51].[Pd:58].[Pd:59]>>[c:2]1(-[c:15]2[cH:14][cH:13][c:12]([F:11])[cH:19][c:16]2[C:17]#[N:18])[c:3]([F:10])[c:4]([NH2:9])[cH:5][cH:6][c:7]1[F:8]