HRID301584

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

4 次

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

HCID8857

Ethyl acetate

C4H8O2

HCID3021550

1-Bromoethyl ethyl carbonate

C5H9BrO3

HCID16722120

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)OC(C)OC(=O)C1N2C(=O)C(NC(=O)C(N)c3ccccc3)C2SC1(C)C

HCID2282

1-[(Ethoxycarbonyl)oxy]ethyl 6-[2-amino(phenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

C21H27N3O7S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-35f5d2587c56412d9ee28b7179f34d6d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:36](=[O:37])([OH:38])[O-:39].[C:41]([O:42][CH:43]([CH3:44])[Br:45])([O:46][CH2:47][CH3:48])=[O:49].[CH3:28][CH2:29][C:30](=[O:31])[CH2:32][C:33]([O-:34])=[O:35].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:57][C:58](=[O:59])[CH3:60].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[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.[Na+:40].[OH2:1].[OH2:2].[OH2:3].[OH2:56]>>[CH:4]12[S:5][C:6]([CH3:7])([CH3:8])[CH:9]([C:25]([O:26][CH:43]([O:42][C:41]([O:46][CH2:47][CH3:48])=[O:49])[CH3:44])=[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