HRID1573325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID17208

Benzyltriethylammonium

C13H22N+

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID14237194

未命名化合物

HCID178526855

未命名化合物

PRODUCTS

生成物

HCID15965523

2-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole

C7H8ClN3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6152388cc50c4cf5a0a770cf5a7d5536
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:32]1[CH2:33][CH2:34][C:35]2=[N:40][CH2:39][CH2:38][CH2:37][N:36]2[CH2:41][CH2:42]1.[CH2:47]([N+:48]([CH2:49][CH3:50])([CH2:51][CH3:52])[CH2:53][CH3:54])[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[CH3:10][c:11]1[cH:12][cH:13][c:14]([S:15]([O:16][CH2:21][C:22]2([CH3:25])[O:23][CH2:24]2)(=[O:17])=[O:18])[cH:19][cH:20]1.[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[CH3:43][C:44]#[N:45].[Cl-:46].[Cl:1][c:2]1[nH:3][cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1>>[Cl:1][c:2]1[n:3]([CH2:21][C:22]2([CH3:25])[O:23][CH2:24]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1