Water → Ethyl 7-chloro-4-hydroxy-1,1-dimethyl-2-oxo-naphthalene-3-carboxylate

반응식

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

참가 물질

반응물 3

HCID 962Water

HCID 1118Sulfuric Acid

HCID 67099549Diethyl 2-(2-(3-chlorophenyl)-2-methylpropanoyl)malonate

생성물 1

HCID 67099815Ethyl 7-chloro-4-hydroxy-1,1-dimethyl-2-oxo-naphthalene-3-carboxylate

출처 및 근거

ORD 기록: ord-c124365a86f4478eaff711977ae7d5eb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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