Isopropanol → [3-(6-bromo-pyridin-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-piperidin-1-yl-ethyl)-amine

반응식

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[n:9][n:10]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:23])([CH3:24])[CH3:25])[c:11]3[n:12][c:13]([Cl:17])[n:14][cH:15][c:16]23)[n:7]1.[CH:35]([OH:36])([CH3:37])[CH3:38].[N:26]1([CH2:32][CH2:33][NH2:34])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1>>[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6](-[c:8]2[n:9][n:10]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:23])([CH3:24])[CH3:25])[c:11]3[n:12][c:13]([NH:34][CH2:33][CH2:32][N:26]4[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]4)[n:14][cH:15][c:16]23)[n:7]1

참가 물질

반응물 3

HCID 3776Isopropanol

HCID 33944N-(2-Aminoethyl)piperidine

HCID 86667959HCID 86667959, 화합물

생성물 1

HCID 86667964[3-(6-bromo-pyridin-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-(2-piperidin-1-yl-ethyl)-amine

출처 및 근거

ORD 기록: ord-cfbfa8ea0bc64419a3b1fb47fec44227
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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