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Bicarbonate Ion → [6-({3-(Aminocarbonyl)-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl dimethylphosphinate

HRID 680786
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HRID 680786 반응식
[C:43](=[O:44])([OH:45])[O-:46].[CH3:29][P:30]([OH:31])(=[O:32])[CH3:33].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[F:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]([C:26](=[O:27])[NH2:28])[c:15]([NH:17][c:18]3[n:19][c:20]([CH2:24][OH:25])[cH:21][cH:22][cH:23]3)[s:16]2)[cH:4][cH:5][c:6]([C:8]([CH3:9])([CH3:10])[OH:11])[cH:7]1.[Na+:47].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52]>>[F:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]([C:26](=[O:27])[NH2:28])[c:15]([NH:17][c:18]3[n:19][c:20]([CH2:24][O:25][P:30]([CH3:29])(=[O:31])[CH3:33])[cH:21][cH:22][cH:23]3)[s:16]2)[cH:4][cH:5][c:6]([C:8]([CH3:9])([CH3:10])[OH:11])[cH:7]1
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참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6228DimethylformamideHCID 76777Dimethylphosphinic acidHCID 81531DiisopropylethylamineHCID 251234855-(2-Fluoro-4-(1-hydroxy-1-methylethyl)phenyl)-2-((6-(hydroxymethyl)-2-pyridinyl)amino)-3-thiophenecarboxamide

생성물 1

HCID 59526131
[6-({3-(Aminocarbonyl)-5-[2-fluoro-4-(1-hydroxy-1-methylethyl)phenyl]-2-thienyl}amino)pyridin-2-yl]methyl dimethylphosphinate

출처 및 근거

ORD 기록
ord-94acbaf7bd4844b6846885ae07ae1eae
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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