Dihydro-3(2H)-thiophenone → Methyl 2-[3-fluoro-4-(3-oxothiolan-2-ylidenemethyl)phenyl]propionate

HRID 210168

반응식

HRID 210168 반응식
[F:1][c:2]1[cH:3][c:4]([CH:10]([C:11](=[O:12])[O:13][CH3:14])[CH3:15])[cH:5][cH:6][c:7]1[CH:8]=[O:9].[O:16]=[C:17]1[CH2:18][S:19][CH2:20][CH2:21]1>>[F:1][c:2]1[cH:3][c:4]([CH:10]([C:11](=[O:12])[O:13][CH3:14])[CH3:15])[cH:5][cH:6][c:7]1[CH:8]=[C:18]1[C:17](=[O:16])[CH2:21][CH2:20][S:19]1

참가 물질

3

반응물 2

HCID 61252Dihydro-3(2H)-thiophenoneHCID 86639394Methyl 2-(3-fluoro-4-formylphenyl)propionate

생성물 1

HCID 67265349Methyl 2-[3-fluoro-4-(3-oxothiolan-2-ylidenemethyl)phenyl]propionate

출처 및 근거

ORD 기록
ord-a311f68fcb3f43488d8048c0c5933699
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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