HRID86818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID180

Acetone

C3H6O

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

5 次

HCID31374

Dimethylacetamide

C4H9NO

结构：COCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOC)c3csc(N)n3)C2SC1

HCID54547

7-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C15H17N5O6S2

PRODUCTS

生成物

HCID54547

7-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C15H17N5O6S2

HCID5462224

Magnesium

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bd98daea7ad4b9da8c03edb19c3c22a
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:10]([O-:11])(=[O:12])[CH3:13].[C:5]([O-:6])(=[O:7])[CH3:8].[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[CH3:48][C:49](=[O:50])[CH3:51].[CH3:53][OH:54].[CH:14]12[S:15][CH2:16][C:17]([CH2:18][O:19][CH3:20])=[C:21]([C:39]([OH:40])=[O:41])[N:22]1[C:23](=[O:24])[CH:25]2[NH:26][C:27](=[O:28])[C:29](=[N:30][O:31][CH3:32])[c:33]1[cH:34][s:35][c:36]([NH2:37])[n:38]1.[Mg+2:9].[OH2:1].[OH2:2].[OH2:3].[OH2:4].[OH2:52]>>[CH:14]12[S:15][CH2:16][C:17]([CH2:18][O:19][CH3:20])=[C:21]([C:39](=[O:40])[OH:41])[N:22]1[C:23](=[O:24])[CH:25]2[NH:26][C:27](=[O:28])[C:29](=[N:30][O:31][CH3:32])[c:33]1[cH:34][s:35][c:36]([NH2:37])[n:38]1.[Mg:9]