HRID126333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7805

4-Bromotoluene

C7H7Br

HCID23938

Palladium

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

2 次

HCID2734205

2-Chloro-6-fluoroaniline

C6H5ClFN

PRODUCTS

生成物

HCID21100364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b6b01bc564846c582c7cf7046f8e349
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

[Br:10][c:11]1[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]1.[C:18]([P:19]([C:20]([CH3:21])([CH3:22])[CH3:23])[C:24]([CH3:25])([CH3:26])[CH3:27])([CH3:28])([CH3:29])[CH3:30].[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[CH:39](=[CH:40][C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)=[O:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH:57](=[CH:58][C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)=[O:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Cl:1][c:2]1[c:3]([NH2:4])[c:5]([F:9])[cH:6][cH:7][cH:8]1.[ClH:31].[OH2:76].[Pd:75]>>[Cl:1][c:2]1[c:3]([NH:4][c:11]2[cH:12][cH:13][c:14]([CH3:17])[cH:15][cH:16]2)[c:5]([F:9])[cH:6][cH:7][cH:8]1