HRID201394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID3283

Diethyl Ether

C4H10O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID5300212

3-Methoxy-5-nitrobenzoic acid

C8H7NO5

PRODUCTS

产物

HCID59353091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b789425d2c504b8c80c481220c6ecd31
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH3:48][CH2:49][O:50][CH2:51][CH3:52].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:34][CH2:35][Cl:36].[N+:7](=[O:8])([O-:9])[c:10]1[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][c:17]([O:19][CH3:20])[cH:18]1.[NH2:21][CH2:22][CH2:23][OH:24].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[N+:7](=[O:8])([O-:9])[c:10]1[cH:11][c:12]([C:13](=[O:15])[NH:21][CH2:22][CH2:23][OH:24])[cH:16][c:17]([O:19][CH3:20])[cH:18]1