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Water → trans 1-{3-[(benzyloxy)methyl]cyclobutyl}-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 1222860
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HRID 1222860 반응식
[C:42](=[O:43])([O-:44])[O-:45].[CH3:24][S:25]([O:26][CH:29]1[CH2:30][CH:31]([CH2:33][O:34][CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[CH2:32]1)(=[O:27])=[O:28].[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[Cs+:46].[Cs+:47].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][nH:16][c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:12][cH:13]1.[OH2:48]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][n:16]([CH:29]3[CH2:30][CH:31]([CH2:33][O:34][CH2:35][c:36]4[cH:37][cH:38][cH:39][cH:40][cH:41]4)[CH2:32]3)[c:17]3[n:18][cH:19][n:20][c:21]([NH2:23])[c:22]23)[cH:12][cH:13]1
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HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 22347404cis 3-[(Benzyloxy)methyl]cyclobutyl methanesulfonateHCID 178508717HCID 178508717, 화합물

생성물 1

HCID 22346834
trans 1-{3-[(benzyloxy)methyl]cyclobutyl}-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

출처 및 근거

ORD 기록
ord-a2795b96bdc340e6afe833ca2ace4ca5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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