HRID201394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-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

生成物

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