Sodium ion → 4-(1-(4-(perfluoroethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoic acid

HRID 99235

반응식

HRID 99235 반응식
[Br+2:28]([O-:29])([O-:30])[O-:31].[CH3:40][C:41]#[N:42].[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([O:7][c:8]1[cH:9][cH:10][c:11](-[n:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][cH:26]3)[n:17][cH:18]2)[cH:12][cH:13]1)[F:27].[Na+:32].[Na+:38].[OH2:39].[S:33](=[O:34])(=[O:35])([OH:36])[O-:37]>>[F:1][C:2]([C:3]([F:4])([F:5])[F:6])([O:7][c:8]1[cH:9][cH:10][c:11](-[n:14]2[n:15][c:16](-[c:19]3[cH:20][cH:21][c:22]([C:23](=[O:24])[OH:29])[cH:25][cH:26]3)[n:17][cH:18]2)[cH:12][cH:13]1)[F:27]

참가 물질

7

출처 및 근거

ORD 기록
ord-ed5e7f9d3e3246c6a2e05eeae8c915a5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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