Water → N-((7-Chloro-4-hydroxy-1,1-dimethyl-2-oxo-naphthalen-3-yl)carbonyl)glycine

반응식

[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[C:9]([CH3:12])([CH3:13])[C:8](=[O:14])[C:7]([C:15](=[O:16])[NH:17][CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[C:6]2[OH:26].[F:27][C:28]([F:29])([F:30])[C:31]([OH:32])=[O:33].[OH2:34]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[C:9]([CH3:12])([CH3:13])[C:8](=[O:14])[C:7]([C:15](=[O:16])[NH:17][CH2:18][C:19](=[O:20])[OH:21])=[C:6]2[OH:26]

참가 물질

반응물 3

HCID 962Water

HCID 6422Trifluoroacetic acid

HCID 670999541,1-Dimethylethyl N-((7-chloro-4-hydroxy-1,1-dimethyl-2-oxo-naphthalen-3-yl)carbonyl)glycinate

생성물 1

HCID 57983346N-((7-Chloro-4-hydroxy-1,1-dimethyl-2-oxo-naphthalen-3-yl)carbonyl)glycine

출처 및 근거

ORD 기록: ord-7993dd7abe514c41a4261ee307618c25
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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