HRID97683

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID58075295

未命名化合物

HCID58075757

未命名化合物

PRODUCTS

产物

HCID50913637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c842a4f92351467c8f2cdec35fb391d6
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

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