HRID1222182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID74062

9-Bromoanthracene

C14H9Br

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID591073

4-Formylphenylboronic acid

C7H7BO3

PRODUCTS

生成物

HCID22138033

4-(Anthracen-9-yl)benzaldehyde

C21H14O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db97dc33f7a44f279439a962ffdb0642
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12.[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].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[CH:16](=[O:17])[c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1.[F-:27].[K+:28].[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[OH2:110].[Pd:47].[Pd:48]>>[c:2]1(-[c:21]2[cH:20][cH:19][c:18]([CH:16]=[O:17])[cH:23][cH:22]2)[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12