Ethyl Acetate → 3-[(Acetyloxy)methyl]-7-[[2-[4-(azidomethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

HRID 202116

반응식

HRID 202116 반응식
[C:15]([CH3:16])(=[O:17])[O:18][CH2:19][C:20]1=[C:21]([C:30](=[O:31])[OH:32])[N:22]2[C:23](=[O:29])[CH:24]([NH2:28])[CH:25]2[S:26][CH2:27]1.[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12](=[O:13])[Cl:14])[cH:9][cH:10]1>>[N:1](=[N+:2]=[N-:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH2:11][C:12](=[O:13])[NH:28][CH:24]2[C:23](=[O:29])[N:22]3[C:21]([C:30](=[O:31])[OH:32])=[C:20]([CH2:19][O:18][C:15]([CH3:16])=[O:17])[CH2:27][S:26][CH:25]32)[cH:9][cH:10]1

참가 물질

4

반응물 3

HCID 8857Ethyl AcetateHCID 137293-((Acetyloxy)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acidHCID 20505454p-Azidomethylphenylacetyl chloride

생성물 1

HCID 227677583-[(Acetyloxy)methyl]-7-[[2-[4-(azidomethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

출처 및 근거

ORD 기록
ord-680f09e522554f33adfd822811305649
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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