Ethanol → Ethyl 2-methyl-4-(2-thienyl)-5-oxo-1,4,5,7-tetrahydrofuro[3,4-b]pyridine-3-carboxylate

반응식

[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH:6]([c:13]2[s:14][cH:15][cH:16][cH:17]2)[C:5]([C:18](=[O:19])[O:20][CH2:21][CH3:24])=[C:4]([CH2:22][OH:23])[NH:3]1.[CH3:36][CH2:37][OH:38].[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[CH:6]([c:13]2[s:14][cH:15][cH:16][cH:17]2)[C:5]2=[C:4]([NH:3]1)[CH2:21][O:20][C:18]2=[O:19]

참가 물질

반응물 3

HCID 702Ethanol

HCID 6101p-Toluenesulfonic acid

HCID 13469472Diethyl 2-methyl-4-(2-thienyl)-6-hydroxymethyl-1,4-dihydropyridine-3,5-dicarboxylate

생성물 1

HCID 13469496Ethyl 2-methyl-4-(2-thienyl)-5-oxo-1,4,5,7-tetrahydrofuro[3,4-b]pyridine-3-carboxylate

출처 및 근거

ORD 기록: ord-021c0ce327b446ad9ca2fd13508a6307
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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