HRID2158755

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID15965523

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

C7H8ClN3O3

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(O)cc2Cl)CC1

HCID23081264

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(OCC3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2Cl)CC1

HCID77713015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1160ef6a2f54223ae218b6f06d1c2b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:4][cH:5][c:6]([OH:8])[cH:7]1.[Cl:24][c:25]1[n:26]([CH2:33][C:34]2([CH3:37])[O:35][CH2:36]2)[cH:27][c:28]([N+:30](=[O:31])[O-:32])[n:29]1.[H-:22].[Na+:23].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[c:3]([N:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:4][cH:5][c:6]([O:8][CH2:36][C:34]2([CH3:37])[CH2:33][n:26]3[c:25]([n:29][c:28]([N+:30](=[O:31])[O-:32])[cH:27]3)[O:35]2)[cH:7]1