HRID121725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID105144

Palladium(2+)

Pd+2

HCID2760897

Cyclopropylboronic acid

C3H7BO2

HCID53669714

4-Bromo-2-fluoro-3-(trifluoromethyl)aniline

C7H4BrF4N

PRODUCTS

生成物

HCID18451523

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6a577100f7641e190a49818b5d48cc0
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:1][c:2]1[c:3]([C:10]([F:11])([F:12])[F:13])[c:4]([F:9])[c:5]([NH2:6])[cH:7][cH:8]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[CH:14]1([B:17]([OH:18])[OH:19])[CH2:15][CH2:16]1.[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[K+:25].[K+:26].[K+:27].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[OH2:54].[P:20]([O-:21])([O-:22])([O-:23])=[O:24].[Pd+2:60]>>[c:2]1([CH:14]2[CH2:15][CH2:16]2)[c:3]([C:10]([F:11])([F:12])[F:13])[c:4]([F:9])[c:5]([NH2:6])[cH:7][cH:8]1