HRID1125903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID67996

4-Trifluoromethylbenzaldehyde

C8H5F3O

结构：CC(C)(C)OC(=O)N1CCN(CC2Cn3cc([N+](=O)[O-])nc3O2)CC1

HCID23081438

未命名化合物

PRODUCTS

生成物

结构：O=[N+]([O-])c1cn2c(n1)OC(CN1CCN(Cc3ccc(C(F)(F)F)cc3)CC1)C2

HCID23081262

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0590f1c44b84fd98a1eeb3262d95c1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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