HRID2322901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID14232

N-Methoxymethylamine

C2H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID2736315

5-Bromo-2-fluorobenzoic acid

C7H4BrFO2

HCID60629520

未命名化合物

HCID178418332

未命名化合物

PRODUCTS

产物

HCID22607476

1-(5-Bromo-2-fluorophenyl)ethan-1-one

C8H6BrFO

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b1438a41d848443c9fef8e950fcb300a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([F:11])[c:6]([C:7](=[O:8])[OH:9])[cH:10]1.[Br:38][c:39]1[cH:40][cH:41][c:42]([F:43])[c:44]([C:46]([N:47]([O:48][CH3:49])[CH3:50])=[O:51])[cH:45]1.[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:20][N:21]([CH3:22])[CH2:23][CH2:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH3:30].[CH3:31][NH:32][O:33][CH3:34].[CH3:35][Mg:36][Cl:37].[CH3:55][N:56]([CH3:57])[c:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1.[Cl:52][CH2:53][Cl:54].[ClH:19].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1>>[Br:1][c:2]1[cH:3][cH:4][c:5]([F:11])[c:6]([C:7](=[O:9])[CH3:12])[cH:10]1