1,2-Difluoro-4-ethylsulfonylbenzene → [3-[4-(Ethylsulfonyl)-2-fluorophenoxy]-5-(trifluoromethyl)phenyl]acetic acid

반응식

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

참가 물질

반응물 2

HCID 265973661,2-Difluoro-4-ethylsulfonylbenzene

HCID 690656243-Hydroxy-5-(trifluoromethyl)phenylacetic acid

생성물 1

HCID 57791938[3-[4-(Ethylsulfonyl)-2-fluorophenoxy]-5-(trifluoromethyl)phenyl]acetic acid

출처 및 근거

ORD 기록: ord-482b46f4949343fc92dc8f1867ffcb16
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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