N-methyl-2-pyrrolidone → 2-[4-Chloro-3-[4-methylsulfonyl-2-(trifluoromethyl)phenoxy]phenyl]acetic acid

HRID 678318

반응식

HRID 678318 반응식
[C:28](=[O:29])([O-:30])[O-:31].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:12]([F:13])([F:14])[F:15])[c:8]([F:11])[cH:9][cH:10]1.[CH3:34][N:35]1[CH2:36][CH2:37][CH2:38][C:39]1=[O:40].[Cl:16][c:17]1[c:18]([OH:27])[cH:19][c:20]([CH2:23][C:24](=[O:25])[OH:26])[cH:21][cH:22]1.[Cs+:32].[Cs+:33]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([C:12]([F:13])([F:14])[F:15])[c:8]([O:27][c:18]2[c:17]([Cl:16])[cH:22][cH:21][c:20]([CH2:23][C:24](=[O:25])[OH:26])[cH:19]2)[cH:9][cH:10]1

참가 물질

6

출처 및 근거

ORD 기록
ord-8f2f1def4a124dfea260a51aa03da0c2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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