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Ammonium → 4-[3-Methyl-4-(2,4,5-trifluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester

HRID 1213195
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인쇄 미리보기

반응식

HRID 1213195 반응식
[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[CH:13]([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][CH:22]([n:25]2[n:26][c:27]([CH3:35])[c:28]3[c:29]2[n:30][cH:31][n:32][c:33]3[Cl:34])[CH2:23][CH2:24]1.[Cl-:36].[F:3][c:4]1[c:5]([OH:12])[cH:6][c:7]([F:11])[c:8]([F:10])[cH:9]1.[H-:1].[NH4+:37].[Na+:2]>>[F:3][c:4]1[c:5]([O:12][c:33]2[c:28]3[c:27]([CH3:35])[n:26][n:25]([CH:22]4[CH2:21][CH2:20][N:19]([C:17]([O:16][CH:13]([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]4)[c:29]3[n:30][cH:31][n:32]2)[cH:6][c:7]([F:11])[c:8]([F:10])[cH:9]1
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반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium IonHCID 6228DimethylformamideHCID 1231532,4,5-TrifluorophenolHCID 166653HydrideHCID 579649474-(4-Chloro-3-methyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylic acid isopropyl ester

생성물

1
HCID 579649044-[3-Methyl-4-(2,4,5-trifluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid isopropyl ester

출처 및 근거

ORD 기록
ord-9dbefd335708453f93cf8bb98b019073
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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