Acetonitrile → 1-(2-hydroxy-2-phenyl-ethyl)-4-(6-fluoro-1-methyl-1H-indazol-3-yl)-piperidine

반응식

[CH3:27][C:28]#[N:29].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([CH:12]3[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]3)[n:7][n:8]([CH3:11])[c:9]2[cH:10]1.[c:18]1([CH:24]2[O:25][CH2:26]2)[cH:19][cH:20][cH:21][cH:22][cH:23]1>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([CH:12]3[CH2:13][CH2:14][N:15]([CH2:26][CH:24]([c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[OH:25])[CH2:16][CH2:17]3)[n:7][n:8]([CH3:11])[c:9]2[cH:10]1

참가 물질

반응물 3

HCID 6342Acetonitrile

HCID 7276Styrene Oxide

HCID 140326086-Fluoro-1-methyl-3-(piperidin-4-yl)-1H-indazole

생성물 1

HCID 189988231-(2-hydroxy-2-phenyl-ethyl)-4-(6-fluoro-1-methyl-1H-indazol-3-yl)-piperidine

출처 및 근거

ORD 기록: ord-ce439812c40d4f10aac97b818de890d2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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