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Ethanol → 3-[{[4-({Cyclohexyl[3-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-2-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid

HRID 1207497
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HRID 1207497 반응식
[CH3:46][CH2:47][OH:48].[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([O:18][CH2:19][c:20]2[n:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17]3)[NH:26][c:27]2[cH:28][cH:29][c:30]([C:33](=[O:34])[N:35]([CH2:36][CH2:37][C:38](=[O:39])[O:40][CH2:41][CH3:42])[CH3:43])[cH:31][cH:32]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:45].[OH-:44]>>[CH:1]1([CH:7]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([O:18][CH2:19][c:20]2[n:21][cH:22][cH:23][cH:24][cH:25]2)[cH:16][cH:17]3)[NH:26][c:27]2[cH:28][cH:29][c:30]([C:33](=[O:34])[N:35]([CH2:36][CH2:37][C:38](=[O:39])[OH:40])[CH3:43])[cH:31][cH:32]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1
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5

반응물 4

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 66778018Ethyl 3-[{[4-({cyclohexyl[3-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-2-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoate

생성물 1

HCID 686283983-[{[4-({Cyclohexyl[3-methyl-5-(pyridin-2-ylmethoxy)-1-benzofuran-2-yl]methyl}amino)phenyl]carbonyl}(methyl)amino]propanoic acid

출처 및 근거

ORD 기록
ord-888cb0c50b8c426a8599571612c84f6e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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