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

HRID 119770
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HRID 119770 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:10])[c:6]([C:7]#[N:8])[cH:9]1.[C:11]([CH3:12])([CH3:13])([CH3:14])[O:15][C:16](=[O:17])[N:18]1[CH2:19][CH2:20][CH:21]([n:24]2[n:25][cH:26][c:27]3[c:28]2[n:29][cH:30][n:31][c:32]3[Cl:33])[CH2:22][CH2:23]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[K+:38].[K+:39].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:32]2[c:27]3[cH:26][n:25][n:24]([CH:21]4[CH2:20][CH2:19][N:18]([C:16]([O:15][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:17])[CH2:23][CH2:22]4)[c:28]3[n:29][cH:30][n:31]2)[c:6]([C:7]#[N:8])[cH:9]1
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반응물 6

HCID 813Potassium Cation2회HCID 923Sodium Ion2회HCID 6228DimethylformamideHCID 19660Carbonate Ion2회HCID 27570145-Bromo-2-hydroxybenzonitrileHCID 57964905Tert-butyl 4-(4-chloro-1H-pyrazolo[3,4-D]pyrimidin-1-YL)piperidine-1-carboxylate

생성물 1

HCID 57964915
4-[4-(4-Bromo-2-cyano-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-8941f42bbc9043518fb4cae27b1631f5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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