Ethanol → 6-(2-methoxybenzyl)-4-methyl-1-(piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyridazin-7(6H)-one

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 59843219benzyl 4-(6-(2-methoxybenzyl)-4-methyl-7-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrazolo[3,4-d]pyridazin-1-yl)piperidine-1-carboxylate

생성물 1

HCID 598433326-(2-methoxybenzyl)-4-methyl-1-(piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyridazin-7(6H)-one

출처 및 근거

ORD 기록: ord-71ce1dbf30124838b6ae0923eeff8e09
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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