HRID2323256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID12677248

4-(Methylsulfanyl)azetidin-2-one

C4H7NOS

HCID13038805

未命名化合物

PRODUCTS

生成物

结构：CSC1CC(=O)N1CC(=O)OCc1ccc([N+](=O)[O-])cc1

HCID20220761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f6804b1fe4c4e3aa5c0bc5c2bfeb2ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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