Sodium ion → 3-[3-[2-(1,3-Benzothiazol-2-yl)ethenyl]phenoxy]propanoic acid

HRID 104996

반응식

HRID 104996 반응식
[C:21]1(=[O:25])[CH2:22][CH2:23][O:24]1.[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[H-:1].[Na+:2].[OH:3][c:4]1[cH:5][c:6]([CH:7]=[CH:8][c:9]2[s:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][cH:17]3)[cH:18][cH:19][cH:20]1>>[O:3]([c:4]1[cH:5][c:6]([CH:7]=[CH:8][c:9]2[s:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][cH:17]3)[cH:18][cH:19][cH:20]1)[CH2:23][CH2:22][C:21](=[O:24])[OH:25]

참가 물질

6

출처 및 근거

ORD 기록
ord-8703734cfacc4eabbec60c5618dcdeed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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