HRID97507

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

2 次

HCID702

Ethanol

C2H6O

HCID3301

Ethylenediamine

C2H8N2

HCID8857

Ethyl Acetate

C4H8O2

HCID609821

5-(2-Chlorophenyl)-2-furaldehyde

C11H7ClO2

HCID59446225

未命名化合物

PRODUCTS

产物

HCID86644298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9b7bc6b616644a30a4d17652d3ead2be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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