HRID1557207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID81110

5-Chloro-2-nitroanisole

C7H6ClNO3

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID21985797

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)CC(=O)c1ccc(-c2ccc([N+](=O)[O-])c(OC)c2)cc1

HCID21985714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba4b3a9aaad34d2e9289bf0e6a20f145
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:6][cH:7]1.[C:35](=[O:36])([O-:37])[O-:38].[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:19][C:20](=[O:21])[O-:22].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl:23][c:24]1[cH:25][cH:26][c:27]([N+:32](=[O:33])[O-:34])[c:28]([O:30][CH3:31])[cH:29]1.[Cs+:39].[Cs+:40].[K+:18].[OH2:55].[Pd+2:50]>>[c:2]1(-[c:24]2[cH:25][cH:26][c:27]([N+:32](=[O:33])[O-:34])[c:28]([O:30][CH3:31])[cH:29]2)[cH:3][cH:4][c:5]([C:8]([CH2:9][C:10]([C:11](=[O:12])[O:13][CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:6][cH:7]1