HRID2125035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15965523

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

C7H8ClN3O3

HCID66589300

未命名化合物

PRODUCTS

生成物

结构：CC(O)(CN1CCN(C(=O)OCC=Cc2ccc(C(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

HCID90896846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8267260e740f4643a57a9bbb45439a54
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[n:3]([CH2:10][C:11]2([CH3:14])[O:12][CH2:13]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[N:15]1([C:21](=[O:22])[O:23][CH2:24][CH:25]=[CH:26][c:27]2[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37]>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([OH:12])([CH2:13][N:18]2[CH2:17][CH2:16][N:15]([C:21](=[O:22])[O:23][CH2:24][CH:25]=[CH:26][c:27]3[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[CH2:20][CH2:19]2)[CH3:14])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1