HRID291413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7276

Styrene oxide

C8H8O

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OCCN

HCID14050436

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc([N+](=O)[O-])ccc1OCCNCC(O)c1ccccc1

HCID14050441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e97a350879c54c638a4f0d944f6504af
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

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