HRID300615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID78288

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-

C7H13NO4

HCID22137885

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCC(=O)Nc1ccc(OCc2ccc(F)cc2)cc1F

HCID69010933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80b476ab36014dd9acb70dccae6b1bbe
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:19](=[O:20])([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[NH:26][CH2:27][C:28](=[O:29])[OH:30].[C:37](=[O:38])([O-:39])[OH:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[ClH:18].[F:1][c:2]1[c:3]([NH2:17])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[cH:7]1.[Na+:41].[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1>>[F:1][c:2]1[c:3]([NH:17][C:28]([CH2:27][NH:26][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:29])[cH:4][cH:5][c:6]([O:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]2)[cH:7]1