HRID686085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID3749260

N-(2-Hydroxy-4-nitrophenyl)acetamide

C8H8N2O4

PRODUCTS

生成物

结构：CC(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1

HCID14166614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-445cc91770d441648b0bd5639a795cdf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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