2-Chloro-5-(ethylsulfonyl)benzonitrile → [3-[2-Cyano-4-(ethylsulfonyl)phenoxy]-5-(trifluoromethyl)phenyl]acetic acid

HRID 1114174

반응식

HRID 1114174 반응식
[Cl:16][c:17]1[c:18]([C:19]#[N:20])[cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH2:28][CH3:29])[cH:23][cH:24]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:17]1[c:18]([C:19]#[N:20])[cH:21][c:22]([S:25](=[O:26])(=[O:27])[CH2:28][CH3:29])[cH:23][cH:24]1

참가 물질

3

반응물 2

HCID 673903892-Chloro-5-(ethylsulfonyl)benzonitrileHCID 690656243-Hydroxy-5-(trifluoromethyl)phenylacetic acid

생성물 1

HCID 16123318[3-[2-Cyano-4-(ethylsulfonyl)phenoxy]-5-(trifluoromethyl)phenyl]acetic acid

출처 및 근거

ORD 기록
ord-ebef420e4b3f4703ac57ef3c41f4f471
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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