Chloride → 4-[4-(2-Hydroxyethyl)phenyl]-4-oxo-butyric acid methyl ester

HRID 116055

반응식

HRID 116055 반응식
[Al+3:20].[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[OH:9].[CH3:10][O:11][C:12]([CH2:13][CH2:14][C:15](=[O:16])[Cl:17])=[O:18].[CH3:24][OH:25].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[Cl-:19].[Cl-:21].[Cl-:22].[Cl:32][CH2:33][Cl:34].[Na:23]>>[CH2:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]([C:15]([CH2:14][CH2:13][C:12]([O:11][CH3:10])=[O:18])=[O:16])[cH:7][cH:8]1)[OH:9]

참가 물질

9

출처 및 근거

ORD 기록
ord-48e0f0a1866948f4a6573fee6ca593d5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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