HRID821377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID95417

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

C17H14O

3 次

HCID2734902

2-Ethoxyphenylboronic acid

C8H11BO3

HCID3926861

4-Bromo-3-nitrobenzonitrile

C7H3BrN2O2

PRODUCTS

产物

反应SMILES：CCOc1ccccc1-c1ccc(C#N)cc1[N+](=O)[O-]

HCID57482704

2′-Ethoxy-2-nitro[1,1′-biphenyl]-4-carbonitrile

C15H12N2O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-088ff41b7b8e4a9ca7a72f4710c5e0b8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Br:1][c:2]1[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[CH2:13]([CH3:14])[O:15][c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1.[F-:25].[K+:26].[O:29]=[C:30]([CH:31]=[CH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Pd:27].[Pd:28]>>[c:2]1(-[c:17]2[c:16]([O:15][CH2:13][CH3:14])[cH:21][cH:20][cH:19][cH:18]2)[c:3]([N+:10](=[O:11])[O-:12])[cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1