HRID144300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID28486

Lithium ion

Li+

HCID61778

Bisulfate anion

HO4S-

结构：COC(=O)C(Cc1ccc2ccccc2c1)NC(=O)c1cccc(CNC(=O)OC(C)(C)C)c1

HCID22949374

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1cccc(C(=O)NC(Cc2ccc3ccccc3c2)C(=O)O)c1

HCID18318390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2eb2db35cc441b6816ba69563a197b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[NH:16][C:17]([c:18]1[cH:19][c:20]([CH2:24][NH:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:21][cH:22][cH:23]1)=[O:33])=[O:34].[CH3:46][OH:47].[Cl:37][CH2:38][Cl:39].[Li+:35].[Na+:45].[OH-:36].[OH2:48].[S:40]([O-:41])([OH:42])(=[O:43])=[O:44]>>[O:2]=[C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[NH:16][C:17]([c:18]1[cH:19][c:20]([CH2:24][NH:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:21][cH:22][cH:23]1)=[O:33])[OH:34]