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Potassium Cation → 4-[4-(6-Cyano-2,3-difluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 104498
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HRID 104498 반응식
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][CH:22]([n:25]2[n:26][cH:27][c:28]3[c:29]2[n:30][cH:31][n:32][c:33]3[Cl:34])[CH2:23][CH2:24]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[F:1][c:2]1[c:3]([OH:11])[c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[F:10].[K+:39].[K+:40].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[F:1][c:2]1[c:3]([O:11][c:33]2[c:28]3[cH:27][n:26][n:25]([CH:22]4[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]4)[c:29]3[n:30][cH:31][n:32]2)[c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[F:10]
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7

반응물 6

HCID 813Potassium Cation2회HCID 923Sodium Ion2회HCID 6228DimethylformamideHCID 19660Carbonate Ion2회HCID 247216203,4-Difluoro-2-hydroxybenzonitrileHCID 57964905Tert-butyl 4-(4-chloro-1H-pyrazolo[3,4-D]pyrimidin-1-YL)piperidine-1-carboxylate

생성물 1

HCID 57964927
4-[4-(6-Cyano-2,3-difluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-3f504aff45a641e5bd79a0c89dcd986f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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