HRID2139074

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

HCID23081099

[4-(Trifluoromethoxy)phenyl]methyl 1-piperazinecarboxylate

C13H15F3N2O3

PRODUCTS

生成物

结构：CC(O)(CN1CCN(C(=O)OCc2ccc(OC(F)(F)F)cc2)CC1)Cn1cc([N+](=O)[O-])nc1Cl

HCID77712956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9648baa06671455597ffd9d597e9562f
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][c:25]2[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[OH2:36]>>[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][c:25]3[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]3)[CH2:20][CH2:19]2)[CH3:14])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1