HRID109186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

4 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

4 次

HCID8846

Butyl acrylate

C7H12O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID105144

Palladium(2+)

Pd+2

HCID251672

1-Bromo-2-methyl-4-nitrobenzene

C7H6BrNO2

PRODUCTS

生成物

结构：CCCCOC(=O)C=C(C)c1ccc([N+](=O)[O-])cc1C

HCID91034515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f58f60de83a4e3aa1ea037dd6a56931
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]([CH3:11])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[C:15]([O-:16])(=[O:17])[CH3:18].[C:20]([CH:21]=[CH2:22])(=[O:23])[O:24][CH2:25][CH2:26][CH2:27][CH3:28].[C:34]([O-:35])(=[O:36])[CH3:37].[C:39]([O-:40])(=[O:41])[CH3:42].[CH3:30][C:31](=[O:32])[O-:33].[CH3:44][N:45]1[CH2:46][CH2:47][CH2:48][C:49]1=[O:50].[Na+:19].[Na+:29].[OH2:12].[OH2:13].[OH2:14].[OH2:43].[Pd+2:38]>>[c:2]1([C:22]([CH3:15])=[CH:21][C:20](=[O:23])[O:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:3]([CH3:11])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1