HRID1209413

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

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID11708267

Bistrimethylsilylacetamid

C8H21NOSi2

HCID20344779

未命名化合物

PRODUCTS

生成物

结构：CC1(C)SC2C(NC(=O)C(O)c3ccc(O)c(CN=[N+]=[N-])c3)C(=O)N2C1C(=O)O

HCID20344764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a14deeeecece4babbf299bf79f9c21d7
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

[C:51](=[O:52])([OH:53])[O-:54].[CH2:29]([O:30][C:31]([Cl:32])=[O:33])[CH:34]([CH3:35])[CH3:36].[CH3:17][Si:18]([CH:19]([Si:20]([CH3:21])([CH3:22])[CH3:23])[C:24]([NH2:25])=[O:26])([CH3:27])[CH3:28].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[NH2:37][CH:38]1[CH:39]2[S:40][C:41]([CH3:49])([CH3:50])[CH:42]([C:46](=[O:47])[OH:48])[N:43]2[C:44]1=[O:45].[Na+:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:61].[OH:1][CH:2]([C:3](=[O:4])[OH:5])[c:6]1[cH:7][c:8]([CH2:13][N:14]=[N+:15]=[N-:16])[c:9]([OH:12])[cH:10][cH:11]1>>[OH:1][CH:2]([C:3](=[O:5])[NH:37][CH:38]1[CH:39]2[S:40][C:41]([CH3:49])([CH3:50])[CH:42]([C:46](=[O:47])[OH:48])[N:43]2[C:44]1=[O:45])[c:6]1[cH:7][c:8]([CH2:13][N:14]=[N+:15]=[N-:16])[c:9]([OH:12])[cH:10][cH:11]1