HRID205712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734322

2-Chlorophenylboronic acid

C6H6BClO2

HCID57799455

5-Chloro-4-(4-chlorophenyl)-2-fluoropyridine

C11H6Cl2FN

PRODUCTS

生成物

结构：Fc1cc(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)cn1

HCID57799412

5-(2-Chlorophenyl)-4-(4-chlorophenyl)-2-fluoropyridine

C17H10Cl2FN

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7886616a40a241ba9843332eb73519ce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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