HRID284005

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

HCID21082339

未命名化合物

PRODUCTS

产物

反应SMILES：CCOc1cc(C(CC(=O)O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC(F)F

HCID10411999

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5b3875cb831d477a86c694eae668036d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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