HRID214489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID260

Hydrogen Bromide

BrH

3 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID5943

Carbon tetrachloride

CCl4

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID7237

o-Xylene

C8H10

HCID7416

Nitrobenzene

C6H5NO2

HCID8078

Cyclohexane

C6H12

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID1472078

3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide

C11H10F3NO2

HCID4989215

Pyridinium

C5H6N+

PRODUCTS

生成物

HCID44628741

2-Bromo-3-oxo-N-[4-(trifluoromethyl)phenyl]butanamide

C11H9BrF3NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51f4a244b6024403bd652adde044bad9
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

[Br:18].[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[BrH:19].[BrH:28].[C:76]([Cl:77])([Cl:78])([Cl:79])[Cl:80].[CH2:49]1[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH:81]([Cl:82])([Cl:83])[Cl:84].[Cl:35][CH:36]([Cl:37])[CH3:38].[Cl:85][CH2:86][Cl:87].[O-:39][N+:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)=[O:47].[O:1]=[C:2]([CH2:3][C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1)[CH3:17].[OH2:48].[c:61]1([CH3:62])[c:63]([CH3:64])[cH:65][cH:66][cH:67][cH:68]1.[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[nH+:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[O:1]=[C:2]([CH:3]([C:4](=[O:5])[NH:6][c:7]1[cH:8][cH:9][c:10]([C:13]([F:14])([F:15])[F:16])[cH:11][cH:12]1)[Br:20])[CH3:17]