HRID86175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID26255

Tetrafluoroborate

BF4-

HCID28179

Fluoride

F-

HCID95417

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

C17H14O

3 次

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID4060964

未命名化合物

HCID57442188

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1cc(-c2ccc(C#N)cc2)c2ccc([N+](=O)[O-])cc21

HCID57442194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32abcfc471d94be59c966e5d9a935a30
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

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