HRID2160926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID119047

Phenoxide

C6H5O-

HCID3826051

未命名化合物

HCID14921487

Neoheptanoyl chloride

C7H13ClO

结构：Cc1ccc(Oc2ccc(C(=O)CNC(C)(C)C)cc2O)cc1

HCID54189973

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc(C(=O)CNC(C)(C)C)cc2OC(=O)CCC(C)(C)C)cc1

HCID54114160

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12603cca38f94783b6482ab6f659afef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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