Trifluoroacetic acid → Methyl 7-(1,3-dioxoisoindol-2-yl)-3-methylidene-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 20394803Methyl 3-methyl-2-(2-chlorosulfinyl-4-oxo-3-phthalimido-1-azetidinyl)-3-butenoate

생성물 1

HCID 14287863Methyl 7-(1,3-dioxoisoindol-2-yl)-3-methylidene-5,8-dioxo-5lambda4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

출처 및 근거

ORD 기록: ord-fe7414d91091426c94cd7d036fcee690
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

반응 노트

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