2-Chloro-1-fluoro-4-methylsulfonylbenzene → {3-Chloro-5-[2-chloro-4-(methylsulfonyl)phenoxy]phenyl}acetic acid

반응식

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

참가 물질

반응물 2

HCID 213408802-Chloro-1-fluoro-4-methylsulfonylbenzene

HCID 596446192-(3-Chloro-5-hydroxyphenyl)acetic acid

생성물 1

HCID 57791939{3-Chloro-5-[2-chloro-4-(methylsulfonyl)phenoxy]phenyl}acetic acid

출처 및 근거

ORD 기록: ord-3868e833876e445ab34963944943f369
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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