HRID1204990

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7918

Acetic anhydride

C4H6O3

HCID19365132

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

HCID19365218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43210bb296134e39b8e3c95aff863d5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:34][C:35]([O-:36])=[O:37].[CH3:38][C:39]([O:40][C:41](=[O:42])[CH3:43])=[O:44].[CH3:45][CH2:46][OH:47].[Na+:33].[c:12]1([CH2:18][C:19]2=[N:20][O:21][CH:22]([CH:24]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[NH2:32])[CH2:23]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[c:12]1([CH2:18][C:19]2=[N:20][O:21][CH:22]([CH:24]([CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[NH:32][C:35]([CH3:34])=[O:36])[CH2:23]2)[cH:13][cH:14][cH:15][cH:16][cH:17]1