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Acetic Acid → N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(6-(hydroxymethyl)pyridin-3-yl)-2-methyl-3-(methyl(tetrahydro-2H-pyran-4-yl)amino)benzamide

HRID 1546072
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HRID 1546072 반응식
[C:44]([BH3-:45])#[N:46].[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12]([c:13]2[c:14]([CH3:35])[c:15]([N:27]([CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[CH3:34])[cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([CH:25]=[O:26])[cH:23][cH:24]3)[cH:18]2)=[O:36])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:37][NH:38][CH3:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:48][OH:49].[Na+:47]>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12]([c:13]2[c:14]([CH3:35])[c:15]([N:27]([CH:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[CH3:34])[cH:16][c:17](-[c:19]3[cH:20][n:21][c:22]([CH2:25][OH:26])[cH:23][cH:24]3)[cH:18]2)=[O:36])[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1
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참가 물질

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반응물 6

HCID 176Acetic AcidHCID 674DimethylamineHCID 887MethanolHCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 86672650N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(6-formylpyridin-3-yl)-2-methyl-3-(methyl(tetrahydro-2H-pyran-4-yl)amino)benzamide

생성물 1

HCID 70872520
N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(6-(hydroxymethyl)pyridin-3-yl)-2-methyl-3-(methyl(tetrahydro-2H-pyran-4-yl)amino)benzamide

출처 및 근거

ORD 기록
ord-9a9223b996bd4802a2c253a0135c5d87
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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