HRID113717

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID28557

18-Crown-6

C12H24O6

HCID91858

2-(Bromomethyl)-1-chloro-3-nitrobenzene

C7H5BrClNO2

HCID642151

4,4-dimethyl-1,2-oxazolidin-3-one

C5H9NO2

PRODUCTS

生成物

结构：CC1(C)CON(Cc2c(Cl)cccc2[N+](=O)[O-])C1=O

HCID13934944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c3374bda9ce476f8c7e78dc7d2d7a3a
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

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