HRID188402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2773552

4-Nitrophenylboronic acid

C6H6BNO4

HCID22031226

Methyl 4-bromo-2-methylbenzoate

C9H9BrO2

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1C

HCID59385226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bea986d19a945fb858bb8014f5f7c52
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:1][c:2]1[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C:25](=[O:26])([O-:27])[O-:28].[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[Cl:31][CH2:32][Cl:33].[N+:13](=[O:14])([O-:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[Na+:29].[Na+:30].[OH2:47]>>[c:2]1(-[c:19]2[cH:18][cH:17][c:16]([N+:13](=[O:14])[O-:15])[cH:21][cH:20]2)[cH:3][c:4]([CH3:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1