3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide → (4-Chloro-3-{2-chloro-4-[(dimethylamino)sulfonyl]phenoxy}phenyl)acetic acid

반응식

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

참가 물질

반응물 2

HCID 6977763-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide

HCID 30171834-Chloro-3-hydroxyphenylacetic acid

생성물 1

HCID 16043202(4-Chloro-3-{2-chloro-4-[(dimethylamino)sulfonyl]phenoxy}phenyl)acetic acid

출처 및 근거

ORD 기록: ord-bfa72faa1aeb4d69a2adc20af98450b2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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