HRID666080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID162

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

C8H12N2O3S

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6367

Acetyl chloride

C2H3ClO

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

2 次

HCID75269

Acetic acid, anhydride with formic acid

C3H4O3

HCID4072356

2-Ethylhexanoate

C8H15O2-

PRODUCTS

生成物

HCID923

Sodium ion

Na+

HCID20478323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faf261e70a9c4bf993797ad4f0c73195
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

[C:27]([O:28][CH:30]=[O:31])(=[O:29])[CH3:32].[CH2:41]([N:42]([CH2:43][CH3:44])[CH2:45][CH3:46])[CH3:47].[CH2:48]([CH:49]([CH2:50][CH2:51][CH2:52][CH3:53])[C:54]([O-:55])=[O:56])[CH3:57].[CH3:15][Si:16]([CH3:17])([CH3:18])[Cl:19].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:36][C:37](=[O:38])[Cl:39].[CH:33]([OH:34])=[O:35].[ClH:40].[NH2:1][CH:2]1[CH:3]2[N:4]([CH:5]([C:10](=[O:11])[OH:12])[C:6]([CH3:8])([CH3:9])[S:7]2)[C:13]1=[O:14].[Na+:58].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1>>[NH:1]([CH:2]1[CH:3]2[N:4]([CH:5]([C:10](=[O:11])[O-:12])[C:6]([CH3:8])([CH3:9])[S:7]2)[C:13]1=[O:14])[CH:27]=[O:29].[Na+:58]