HRID288012

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID283

Formic acid, ion(1-)

CHO2-

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID5413

Tetraethylammonium

C8H20N+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID105144

Palladium(2+)

Pd+2

结构：C=C(C)CN(C(C)=O)c1cc([N+](=O)[O-])ccc1Br

HCID21959573

N-(2-Bromo-5-nitrophenyl)-N-(2-methylprop-2-en-1-yl)acetamide

C12H13BrN2O3

PRODUCTS

生成物

结构：CC(=O)N1CC(C)(C)c2ccc([N+](=O)[O-])cc21

HCID16127418

1-(3,3-Dimethyl-6-nitro-2,3-dihydro-1H-indol-1-yl)ethan-1-one

C12H14N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ccae3118f51422cb8c409fa451280d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[c:3]([N:11]([C:12]([CH3:13])=[O:14])[CH2:15][C:16](=[CH2:17])[CH3:18])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[C:44]([O-:45])(=[O:46])[CH3:47].[C:48]([O-:49])(=[O:50])[CH3:51].[CH2:34]([N+:35]([CH2:36][CH3:37])([CH2:38][CH3:39])[CH2:40][CH3:41])[CH3:42].[CH3:24][C:25](=[O:26])[O-:27].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH:19]([O-:20])=[O:21].[Cl-:33].[Na+:22].[Na+:23].[OH2:43].[Pd+2:52]>>[c:2]12[c:3]([cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1)[N:11]([C:12]([CH3:13])=[O:14])[CH2:15][C:16]2([CH3:17])[CH3:18]