HRID1222362

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

HCID67426409

未命名化合物

PRODUCTS

生成物

结构：Cc1nc([N+](=O)[O-])ccc1N1CCN(C(C)C)CC1

HCID67427195

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dea3cdb6dcee41debf6d6f23ac394fd7
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

[Br:1][c:2]1[c:3]([CH3:11])[n:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[C:21](=[O:22])([O-:23])[O-:24].[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])[CH2:43][CH2:44][CH3:45].[CH3:46][S:47](=[O:48])[CH3:49].[CH:12]([CH3:13])([CH3:14])[N:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[I-:28].[K+:25].[K+:26].[OH2:27]>>[c:2]1([N:18]2[CH2:17][CH2:16][N:15]([CH:12]([CH3:13])[CH3:14])[CH2:20][CH2:19]2)[c:3]([CH3:11])[n:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1