HRID690633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID1140

Toluene

C7H8

HCID8553

2-Chloroanthraquinone

C14H7ClO2

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

PRODUCTS

生成物

结构：O=C1c2ccccc2C(=O)c2cc(-c3ccccc3)ccc21

HCID313995

2-PHENYLANTHRAQUINONE

C20H12O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6026cf200344403979c49a0025ab0e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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