HRID101495

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

HCID21082338

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc2c1C(=O)N(C(CC(=O)O)c1ccc(OC(F)F)c(OCC3CC3)c1)C2=O

HCID9848337

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42f6b11eb86b42929e89b81809110405
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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