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

HRID 136097
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인쇄 미리보기

반응식

HRID 136097 반응식
[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[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.[Cl:41][CH2:42][Cl:43].[Mg+2:28].[O-:29][S:30](=[O:31])(=[O:32])[O-:33].[OH2:1].[OH2:2].[OH2:3]>>[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH:4]12[S:5][C:6]([CH3:7])([CH3:8])[CH:9]([C:25](=[O:26])[OH: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
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참가 물질

8

반응물 6

HCID 888Magnesium CationHCID 962Water3회HCID 1117Sulfate IonHCID 21746-((2-Amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acidHCID 6344DichloromethaneHCID 8471Triethylamine

생성물 2

HCID 2174
6-((2-Amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
HCID 8471Triethylamine

출처 및 근거

ORD 기록
ord-3c4fe0ba96634534a35b53fed00904c7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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