Bicarbonate Ion → 4-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine

HRID 134583

반응식

HRID 134583 반응식
[C:32](=[O:33])([OH:34])[O-:35].[C:7]12([CH2:8][S:9]([OH:10])(=[O:11])=[O:12])[C:13]([CH3:14])([CH3:15])[CH:16]([CH2:17][CH2:18]1)[CH2:19][C:20]2=[O:21].[CH2:1]1[CH2:2][O:3][CH:4]=[CH:5][CH2:6]1.[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl:22][c:23]1[c:24]2[c:25]([n:26][cH:27][n:28]1)[nH:29][n:30][cH:31]2.[Na+:36]>>[CH2:1]1[CH2:2][O:3][CH:4]([n:29]2[c:25]3[c:24]([c:23]([Cl:22])[n:28][cH:27][n:26]3)[cH:31][n:30]2)[CH2:5][CH2:6]1

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 80803,4-dihydro-2H-pyranHCID 8857Ethyl AcetateHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 2210954-Chloro-1H-pyrazolo[3,4-d]pyrimidine

생성물 1

HCID 2394984-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidine

출처 및 근거

ORD 기록
ord-925b6e4019ae440a9602c3771b969b37
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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