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Methanol → N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(1-(1-(2-(methylsulfonyl)ethyl)piperidin-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

HRID 134100
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HRID 134100 반응식
[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[c:15]3[c:16]([n:17][c:18]([C:20]4=[CH:25][CH2:24][N:23]([CH:26]5[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]5)[CH2:22][CH2:21]4)[cH:19]2)[n:32]([CH:35]([CH3:36])[CH3:37])[n:33][cH:34]3)[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1.[CH3:44][OH:45].[CH:38](=[CH2:39])[S:40](=[O:41])(=[O:42])[CH3:43]>>[CH3:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[c:14]2[c:15]3[c:16]([n:17][c:18]([C:20]4=[CH:25][CH2:24][N:23]([CH:26]5[CH2:27][CH2:28][N:29]([CH2:39][CH2:38][S:40](=[O:41])(=[O:42])[CH3:43])[CH2:30][CH2:31]5)[CH2:22][CH2:21]4)[cH:19]2)[n:32]([CH:35]([CH3:36])[CH3:37])[n:33][cH:34]3)[c:4](=[O:9])[nH:5][c:6]([CH3:8])[cH:7]1
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반응물 3

HCID 887MethanolHCID 19354Methyl vinyl sulfoneHCID 86703436N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(1-(piperidin-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

생성물 1

HCID 68350766N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(1-(1-(2-(methylsulfonyl)ethyl)piperidin-4-yl)-1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

출처 및 근거

ORD 기록
ord-5ba181f5ae1b4d8e9873fac569325b4c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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