Hydrochloric Acid → 4-[1-(4-Methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid 2,2-dimethyl-propyl ester

HRID 172827

반응식

HRID 172827 반응식
[CH3:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9](-[n:12]2[n:13][cH:14][c:15]3[c:16]2[n:17][cH:18][n:19][c:20]3[O:21][CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:10][cH:11]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[Cl:28][C:29](=[O:30])[O:31][CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36].[ClH:1].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH3:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9](-[n:12]2[n:13][cH:14][c:15]3[c:16]2[n:17][cH:18][n:19][c:20]3[O:21][CH:22]2[CH2:23][CH2:24][N:25]([C:29](=[O:30])[O:31][CH2:32][C:33]([CH3:34])([CH3:35])[CH3:36])[CH2:26][CH2:27]2)[cH:10][cH:11]1

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 33521852,2-Dimethylpropyl carbonochloridateHCID 113608021-(4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine

생성물 1

HCID 218976754-[1-(4-Methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid 2,2-dimethyl-propyl ester

출처 및 근거

ORD 기록
ord-7693a9c7427b440499fd1ddbbf265ac5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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