HRID2321515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID944

Nitric Acid

HNO3

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C(Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499786

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2c(OC)ccc([N+](=O)[O-])c2OC)cc1)NC(=O)c1c(Cl)cccc1Cl

HCID178499791

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ed15c439be24c198aada9bb1699681f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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