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

HRID 188878

반응식

HRID 188878 반응식
[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

참가 물질

4

반응물 2

HCID 21746-((2-Amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidHCID 5578Trimethoprim

생성물 2

HCID 21746-((2-Amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidHCID 5578Trimethoprim

출처 및 근거

ORD 기록
ord-be3152fcb30a4f01a33c651753972dc6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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