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Bicarbonate Ion → 4'-Hydroxy-6-trifluoromethyl-3',4',5',6'-tetrahydro-2'h-[2,4']bipyridinyl-1'-carboxylic acid(7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

HRID 1236429
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인쇄 미리보기

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HRID 1236429 반응식
[C:39](=[O:40])([OH:41])[O-:42].[CH3:44][C:45]#[N:46].[F:1][C:2]([c:3]1[cH:4][cH:5][cH:6][c:7]([C:9]2([OH:15])[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[n:8]1)([F:16])[F:17].[Na+:43].[c:18]1([O:24][C:25](=[O:19])[NH:26][c:27]2[s:28][c:29]3[n:30][cH:31][n:32][c:33]([O:36][CH3:37])[c:34]3[n:35]2)[cH:20][cH:21][cH:22][cH:23][cH:38]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][cH:6][c:7]([C:9]2([OH:15])[CH2:10][CH2:11][N:12]([C:25](=[O:24])[NH:26][c:27]3[s:28][c:29]4[n:30][cH:31][n:32][c:33]([O:36][CH3:37])[c:34]4[n:35]3)[CH2:13][CH2:14]2)[n:8]1)([F:16])[F:17]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6342AcetonitrileHCID 59011944(7-Methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-carbamic acid phenyl esterHCID 590119804-(6-(Trifluoromethyl)pyridin-2-yl)piperidin-4-ol

생성물 1

HCID 24829958
4'-Hydroxy-6-trifluoromethyl-3',4',5',6'-tetrahydro-2'h-[2,4']bipyridinyl-1'-carboxylic acid(7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide

출처 및 근거

ORD 기록
ord-f55c1eecbb3349fca33cb99ac356433c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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