Sodium ion → 2-(Butyl-ethyl-amino)-5-trifluoromethyl-benzoic acid

HRID 125490노트

반응식

HRID 125490 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([c:6]1[c:7]([CH:8]=[O:9])[cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]1)[CH2:18][CH3:19].[CH3:20][C:21](=[CH:22][CH3:23])[CH3:24].[CH3:37][C:38]([OH:39])([CH3:40])[CH3:41].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl+:33]([O-:34])[O-:35].[Na+:32].[Na+:36].[OH2:25].[OH2:26].[OH2:42].[P:27](=[O:28])([O-:29])([OH:30])[OH:31]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([c:6]1[c:7]([C:8](=[O:9])[OH:28])[cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]1)[CH2:18][CH3:19]

참가 물질

9

출처 및 근거

ORD 기록
ord-83480b45e40741c4b8df464dd62c7ae2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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