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Ethanol → 3-[{[5-({1-[5-(6-Methoxypyridin-3-yl)-2-methylfuran-3-yl]-3-methylbutyl}amino)pyridin-2-yl]carbonyl}(methyl)amino]propanoic acid

HRID 1540995
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반응식

HRID 1540995 반응식
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[NH:20][c:21]3[cH:22][cH:23][c:24]([C:27](=[O:28])[N:29]([CH2:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH3:37])[n:25][cH:26]3)[c:12]([CH3:14])[o:13]2)[cH:7][n:8]1.[CH3:45][CH2:46][OH:47].[Li+:43].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:44]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][c:11]([CH:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[NH:20][c:21]3[cH:22][cH:23][c:24]([C:27](=[O:28])[N:29]([CH2:30][CH2:31][C:32](=[O:33])[OH:34])[CH3:37])[n:25][cH:26]3)[c:12]([CH3:14])[o:13]2)[cH:7][n:8]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68511478Ethyl 3-[{[5-({1-[5-(6-methoxypyridin-3-yl)-2-methylfuran-3-yl]-3-methylbutyl}amino)pyridin-2-yl]carbonyl}(methyl)amino]propanoate

생성물 1

HCID 59529364
3-[{[5-({1-[5-(6-Methoxypyridin-3-yl)-2-methylfuran-3-yl]-3-methylbutyl}amino)pyridin-2-yl]carbonyl}(methyl)amino]propanoic acid

출처 및 근거

ORD 기록
ord-0cfe0435ce0845319f95895922ddb98d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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