HRID293178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID32743

3-Butenoic acid

C4H6O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID807264

3-(2-quinoxalinyl)aniline

C14H11N3

PRODUCTS

生成物

HCID46916454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47c9e8bcef0f41fda0748e0670989b37
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

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