Ethanol → 2-(4-Hydroxy-5-oxo-1,3,6-cycloheptatrien-1-ylamino)-2-butenedioic Acid Diethyl Ester

HRID 1135258

반응식

[C:1](#[C:2][C:3](=[O:4])[O:5][CH2:6][CH3:7])[C:8](=[O:9])[O:10][CH2:11][CH3:12].[CH3:23][CH2:24][OH:25].[NH2:13][c:14]1[cH:15][cH:16][c:17]([OH:22])[c:18](=[O:21])[cH:19][cH:20]1>>[CH:1](=[C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[NH:13][c:14]1[cH:15][cH:16][c:17]([OH:22])[c:18](=[O:21])[cH:19][cH:20]1)[C:8](=[O:9])[O:10][CH2:11][CH3:12]

참가 물질

반응물 3

HCID 702Ethanol

HCID 234505-Amino-2-hydroxy-2,4,6-cycloheptatrien-1-one

HCID 69803Diethyl acetylenedicarboxylate

생성물 1

HCID 867362102-(4-Hydroxy-5-oxo-1,3,6-cycloheptatrien-1-ylamino)-2-butenedioic Acid Diethyl Ester

출처 및 근거

ORD 기록: ord-e79f0d9e4e3c4accbdc1b84b4f6c204f
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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