Acetic Acid → 3-(Benzylamino-methyl)-benzoic acid methyl ester

HRID 211198

반응식

HRID 211198 반응식
[BH4-:26].[C:14]([OH:15])(=[O:16])[CH3:17].[CH3:2][O:3][C:4]([c:5]1[cH:6][c:7]([CH2:11][NH2:12])[cH:8][cH:9][cH:10]1)=[O:13].[CH3:32][OH:33].[CH:18](=[O:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[Cl:28][CH:29]([Cl:30])[CH3:31].[ClH:1].[Na+:27]>>[CH3:2][O:3][C:4]([c:5]1[cH:6][c:7]([CH2:11][NH:12][CH2:18][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:8][cH:9][cH:10]1)=[O:13]

참가 물질

9

출처 및 근거

ORD 기록
ord-15c6d6709f43441eb9ee0a597eba13db
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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