HRID281919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

结构：CC1(C)SC2C(NC(=O)C(N)c3ccccc3)C(=O)N2C1C(=O)O

HCID2174

6-[(2-Amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C16H19N3O4S

HCID6342

Acetonitrile

C2H3N

HCID3021550

1-Bromoethyl ethyl carbonate

C5H9BrO3

HCID5462222

Potassium

PRODUCTS

生成物

结构：CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C

HCID2282

1-[(Ethoxycarbonyl)oxy]ethyl 6-[2-amino(phenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C21H27N3O7S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23d3e040070644c8a93e47ff829c8ed0
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:26]([O:27][CH:28]([CH3:29])[Br:30])([O:31][CH2:32][CH3:33])=[O:34].[C:35](=[O:36])([OH:37])[O-:38].[CH3:40][C:41]#[N:42].[CH:1]12[S:2][C:3]([CH3:4])([CH3:5])[CH:6]([C:22]([OH:23])=[O:24])[N:7]1[C:8](=[O:9])[CH:10]2[NH:11][C:12](=[O:13])[CH:14]([NH2:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[K:25].[Na+:39]>>[CH:1]12[S:2][C:3]([CH3:4])([CH3:5])[CH:6]([C:22]([O:23][CH:28]([O:27][C:26]([O:31][CH2:32][CH3:33])=[O:34])[CH3:29])=[O:24])[N:7]1[C:8](=[O:9])[CH:10]2[NH:11][C:12](=[O:13])[CH:14]([NH2:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1