HRID702158

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID180

Acetone

C3H6O

HCID271

Calcium ion

Ca+2

HCID887

Methanol

CH4O

HCID962

Water

H2O

2 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

HCID5460341

Calcium

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbc6d19e9af84cf29d2137f0bcc32dce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:39][N:40]([CH3:41])[C:42](=[O:43])[CH3:44].[CH3:3][C:4](=[O:5])[O-:6].[CH3:45][C:46](=[O:47])[CH3:48].[CH3:50][OH:51].[CH3:7][C:8](=[O:9])[O-:10].[CH:11]12[S:12][CH2:13][C:14]([CH2:15][O:16][CH3:17])=[C:18]([C:36]([OH:37])=[O:38])[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][s:32][c:33]([NH2:34])[n:35]1.[Ca+2:2].[OH2:1].[OH2:49]>>[CH:11]12[S:12][CH2:13][C:14]([CH2:15][O:16][CH3:17])=[C:18]([C:36](=[O:37])[OH:38])[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][s:32][c:33]([NH2:34])[n:35]1.[Ca:2]