HRID681039

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID66054

Butanoyl chloride, 3-methyl-

C5H9ClO

HCID119047

Phenoxide

C6H5O-

HCID3826051

未命名化合物

结构：COc1c(C)ccc(C(=O)Oc2ccc(C(=O)CNC(C)C)cc2O)c1Cl

HCID20535380

未命名化合物

PRODUCTS

生成物

结构：COc1c(C)ccc(C(=O)Oc2ccc(C(=O)CNC(C)C)cc2OC(=O)CC(C)C)c1Cl

HCID20535358

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c14e9b7fc891471384445075220d88b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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