HRID1116348

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID409683

(RS)-Valine methyl ester

C6H13NO2

结构：Cc1cc(-c2ccc([N+](=O)[O-])cc2)ccc1C(=O)O

HCID59385288

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1C)C(C)C

HCID178501632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dbb21d0c3c640a18fce1ca1e2afe5ef
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

[CH2:43]([Cl:44])[Cl:45].[CH3:1][c:2]1[cH:3][c:4](-[c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[cH:5][cH:6][c:7]1[C:8](=[O:9])[OH:10].[CH3:27][O:28][C:29]([CH:30]([NH2:31])[CH:32]([CH3:33])[CH3:34])=[O:35].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[ClH:26].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[CH3:1][c:2]1[cH:3][c:4](-[c:11]2[cH:12][cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2)[cH:5][cH:6][c:7]1[C:8](=[O:10])[NH:31][CH:30]([C:29]([O:28][CH3:27])=[O:35])[CH:32]([CH3:33])[CH3:34]