Water → 4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid 2,2,2-trichloro-1,1-dimethyl-ethyl ester

HRID 936189노트

반응식

HRID 936189 반응식
[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1.[Cl:34][C:35](=[O:36])[O:37][C:38]([C:39]([Cl:40])([Cl:41])[Cl:42])([CH3:43])[CH3:44].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[OH2:45]>>[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][N:29]([C:35](=[O:36])[O:37][C:38]([C:39]([Cl:40])([Cl:41])[Cl:42])([CH3:43])[CH3:44])[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1

참가 물질

5

반응물 4

HCID 962WaterHCID 6422Trifluoroacetic acidHCID 51066062,2,2-Trichloro-tert-butyl chloroformateHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

생성물 1

HCID 579648954-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid 2,2,2-trichloro-1,1-dimethyl-ethyl ester

출처 및 근거

ORD 기록
ord-b4a076573f114056b057ced8e89e589a
출처 데이터셋
Validation data from https://doi.org/10.1039/C8SC04228D

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