HRID1547369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59804554

未命名化合物

结构：CON(C)C(=O)C(Cc1ccccc1F)NC(=O)OC(C)(C)C

HCID72565311

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1ccc(Cl)cc1CC(=O)C(Cc1ccccc1F)NC(=O)OC(C)(C)C

HCID69131294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7afa449151864fe2b4188434992f1049
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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