HRID285041

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：O=[N+]([O-])c1ccc(F)c([N+](=O)[O-])c1

HCID6264

1-Fluoro-2,4-dinitrobenzene

C6H3FN2O4

HCID81531

Diisopropylethylamine

C8H19N

HCID10999647

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1

HCID58653674

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75b41eec3eb44c6abcc8d1d7e74c0dc8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:42][OH:43].[CH:14]([N:15]([CH2:16][CH3:17])[CH:18]([CH3:19])[CH3:20])([CH3:21])[CH3:22].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([F:13])[cH:6][cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1.[NH2:23][CH:24]([CH2:25][C:26](=[O:27])[O:28][CH3:29])[c:30]1[cH:31][cH:32][c:33](-[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:34][cH:35]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:23][CH:24]([CH2:25][C:26](=[O:27])[O:28][CH3:29])[c:30]2[cH:31][cH:32][c:33](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[cH:34][cH:35]2)[cH:6][cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1