3-Chloro-4-fluorophenyl phenyl sulfone → [3-[2-Chloro-4-(phenylsulfonyl)phenoxy]-5-(trifluoromethyl)phenyl]acetic acid

HRID 173578

반응식

HRID 173578 반응식
[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.[c:16]1([S:22](=[O:23])(=[O:24])[c:25]2[cH:26][c:27]([Cl:32])[c:28]([F:31])[cH:29][cH:30]2)[cH:17][cH:18][cH:19][cH:20][cH:21]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:28]1[c:27]([Cl:32])[cH:26][c:25]([S:22]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)(=[O:23])=[O:24])[cH:30][cH:29]1

참가 물질

3

반응물 2

HCID 689525093-Chloro-4-fluorophenyl phenyl sulfoneHCID 690656243-Hydroxy-5-(trifluoromethyl)phenylacetic acid

생성물 1

HCID 16123316[3-[2-Chloro-4-(phenylsulfonyl)phenoxy]-5-(trifluoromethyl)phenyl]acetic acid

출처 및 근거

ORD 기록
ord-4b335a5b44454ac1a18bce3c585ee975
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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