Sodium ion → 4-(3'-Acetyl-biphenyl-4-ylmethoxy)-2-hydroxy-benzoic acid

HRID 2335340

반응식

HRID 2335340 반응식
[BH:20]([OH:21])[OH:22].[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]([OH:17])[c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[cH:18][cH:19]1.[C:23]([CH3:24])(=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][O:39][CH2:40][O:41][CH3:42].[Na+:36].[Na+:37].[OH2:43]>>[c:2]1(-[c:30]2[cH:29][cH:28][cH:27][c:26]([C:23]([CH3:24])=[O:25])[cH:31]2)[cH:3][cH:4][c:5]([CH2:6][O:7][c:8]2[cH:9][c:10]([OH:17])[c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]2)[cH:18][cH:19]1

참가 물질

8

출처 및 근거

ORD 기록
ord-428e30e12dd74fca8fba46536bd3223b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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