HRID1214030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID962

Water

H2O

HCID11137

3-Nitrophenol

C6H5NO3

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID104967

Cesium(1+)

Cs+

2 次

HCID23247724

Ethyl (4-bromo-2-nitrophenyl)acetate

C10H10BrNO4

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(Oc2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]

HCID59804301

Ethyl 2-nitro-4-(3-nitrophenoxy)benzeneacetate

C16H14N2O7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16ec13f4f7014224a0031a2a15241f6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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