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

HRID 105541

반응식

HRID 105541 반응식
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]1=[C:7]([C:16](=[O:17])[OH:18])[N:8]2[C:9](=[O:15])[CH:10]([NH2:14])[CH:11]2[S:12][CH2:13]1.[CH2:31]([O:32][C:33](=[O:34])[CH3:35])[CH3:36].[Cl:19][CH2:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][C:28](=[O:29])[Cl:30])[cH:25][cH:26]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][C:6]1=[C:7]([C:16](=[O:17])[OH:18])[N:8]2[C:9](=[O:15])[CH:10]([NH:14][C:28]([CH2:27][c:24]3[cH:23][cH:22][c:21]([CH2:20][Cl:19])[cH:26][cH:25]3)=[O:29])[CH:11]2[S:12][CH2:13]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 20380233p-Chloromethylphenylacetyl chloride

생성물 1

HCID 233432303-[(Acetyloxy)-methyl]-7-[[2-[4-(chloromethyl)phenyl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

출처 및 근거

ORD 기록
ord-5850ae7a7de348bb848685777e0f69e4
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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