HRID1219428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

3 次

HCID1117

Sulfate

O4S-2

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

HCID8471

Triethylamine

C6H15N

PRODUCTS

生成物

HCID2174

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

C16H19N3O4S

HCID8471

Triethylamine

C6H15N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0535eb62f9df4c26a1bbe27edc5b332a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH:4]12[S:5][C:6]([CH3:7])([CH3:8])[CH:9]([C:25]([OH:26])=[O:27])[N:10]1[C:11](=[O:12])[CH:13]2[NH:14][C:15](=[O:16])[CH:17]([NH2:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Mg+2:28].[O-:29][S:30](=[O:31])(=[O:32])[O-:33].[OH2:1].[OH2:2].[OH2:3]>>[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH:4]12[S:5][C:6]([CH3:7])([CH3:8])[CH:9]([C:25](=[O:26])[OH:27])[N:10]1[C:11](=[O:12])[CH:13]2[NH:14][C:15](=[O:16])[CH:17]([NH2:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1