HRID155773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID226121

N-(1,3-Dioxo-1,3-dihydro-2-benzofuran-4-yl)ethanimidic acid

C10H7NO4

HCID58800079

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC(F)F

HCID10368552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9571cd614dc34b3e8924c8b6c0e32635
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

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