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Sodium Ion → 1-ethyl-6-fluoro-3-{4-[(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)oxy]phenyl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

HRID 1117211
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반응식

HRID 1117211 반응식
[CH2:1]([CH3:2])[n:3]1[c:4](=[O:20])[n:5](-[c:13]2[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]2)[c:6]2[n:7][cH:8][c:9]([F:12])[cH:10][c:11]12.[CH3:23][n:24]1[c:25]([S:33]([CH3:34])(=[O:35])=[O:36])[n:26][c:27]2[c:28]1[n:29][cH:30][cH:31][cH:32]2.[H-:21].[Na+:22].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37]>>[CH2:1]([CH3:2])[n:3]1[c:4](=[O:20])[n:5](-[c:13]2[cH:14][cH:15][c:16]([O:19][c:25]3[n:24]([CH3:23])[c:28]4[c:27]([n:26]3)[cH:32][cH:31][cH:30][n:29]4)[cH:17][cH:18]2)[c:6]2[n:7][cH:8][c:9]([F:12])[cH:10][c:11]12
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 585773231-ethyl-6-fluoro-3-(4-hydroxyphenyl)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-oneHCID 585773713-Methyl-2-(methylsulfonyl)-3H-imidazo[4,5-b]pyridine

생성물 1

HCID 54771096
1-ethyl-6-fluoro-3-{4-[(3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)oxy]phenyl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

출처 및 근거

ORD 기록
ord-f20c34b9039a4277aeacf80dc3fb9a09
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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