HRID318230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

结构：CON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(N)=O)CSC12)c1ccco1

HCID2659

3-[(Carbamoyloxy)methyl]-7-[2-(2-furanyl)(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C16H16N4O8S

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID5360545

Sodium

HCID11137505

1-bromoethyl Acetate

C4H7BrO2

PRODUCTS

生成物

HCID2659

3-[(Carbamoyloxy)methyl]-7-[2-(2-furanyl)(methoxyimino)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C16H16N4O8S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecb67700748841459461a0bbeaed95a6
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:1]([O:2][CH:3]([Br:4])[CH3:5])(=[O:6])[CH3:7].[C:38](=[O:39])([O-:40])[O-:41].[C:44](=[O:45])([OH:46])[O-:47].[C:49]([N:50]([CH3:51])[CH3:52])(=[O:53])[CH3:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:9]12[S:10][CH2:11][C:12]([CH2:13][O:14][C:15]([NH2:16])=[O:17])=[C:18]([C:35]([OH:36])=[O:37])[N:19]1[C:20](=[O:21])[CH:22]2[NH:23][C:24](=[O:25])[C:26](=[N:27][O:28][CH3:29])[c:30]1[cH:31][cH:32][cH:33][o:34]1.[K+:42].[K+:43].[Na+:48].[Na:8]>>[CH:9]12[S:10][CH2:11][C:12]([CH2:13][O:14][C:15]([NH2:16])=[O:17])=[C:18]([C:35](=[O:36])[OH:37])[N:19]1[C:20](=[O:21])[CH:22]2[NH:23][C:24](=[O:25])[C:26](=[N:27][O:28][CH3:29])[c:30]1[cH:31][cH:32][cH:33][o:34]1