Toluene → Methyl 2-fluoro-4-methylbenzoate

반응식

[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([CH3:11])[cH:10]1.[S:12]([Cl:13])([Cl:14])=[O:15]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:16])[cH:7][cH:8][c:9]([CH3:11])[cH:10]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 24386Thionyl Chloride

HCID 27361452-Fluoro-4-methylbenzoic acid

생성물 1

HCID 18759805Methyl 2-fluoro-4-methylbenzoate

출처 및 근거

ORD 기록: ord-8bf59f464fc146d6b70ad6130bc20f06
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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