HRID188878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID5578

Trimethoprim

C14H18N4O3

PRODUCTS

生成物

HCID2174

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

C16H19N3O4S

HCID5578

Trimethoprim

C14H18N4O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be3152fcb30a4f01a33c651753972dc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:25][O:26][c:27]1[cH:28][c:29]([CH2:30][c:31]2[cH:32][n:33][c:34]([NH2:35])[n:36][c:37]2[NH2:38])[cH:39][c:40]([O:41][CH3:42])[c:43]1[O:44][CH3:45].[CH:1]12[S:2][C:3]([CH3:4])([CH3:5])[CH:6]([C:22]([OH:23])=[O:24])[N:7]1[C:8](=[O:9])[CH:10]2[NH:11][C:12](=[O:13])[CH:14]([NH2:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[CH3:25][O:26][c:27]1[cH:28][c:29]([CH2:30][c:31]2[cH:32][n:33][c:34]([NH2:35])[n:36][c:37]2[NH2:38])[cH:39][c:40]([O:41][CH3:42])[c:43]1[O:44][CH3:45].[CH:1]12[S:2][C:3]([CH3:4])([CH3:5])[CH:6]([C:22](=[O:23])[OH:24])[N:7]1[C:8](=[O:9])[CH:10]2[NH:11][C:12](=[O:13])[CH:14]([NH2:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1