HRID2144245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID123063

1-(4-Fluorophenyl)ethan-1-amine

C8H10FN

反应SMILES：CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID4574913

未命名化合物

HCID86659375

未命名化合物

PRODUCTS

产物

反应SMILES：CC(Nc1cc(-c2cnn(C)c2)cc(Cl)n1)c1ccc(F)cc1

HCID87235004

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-42885052e78c4be8b119def84864d688
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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