Methanol → 2-(1-(3-(1H-pyrazol-1-yl)phenyl)-3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine

반응식

[CH3:31][OH:32].[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1.[n:1]1(-[c:6]2[cH:7][c:8]([C:12](=[CH:13][CH:14]([CH3:15])[CH3:16])[c:17]3[cH:18][c:19]4[c:20]([n:21][cH:22][cH:23][cH:24]4)[nH:25]3)[cH:9][cH:10][cH:11]2)[n:2][cH:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][c:8]([CH:12]([CH2:13][CH:14]([CH3:15])[CH3:16])[c:17]3[cH:18][c:19]4[c:20]([n:21][cH:22][cH:23][cH:24]4)[nH:25]3)[cH:9][cH:10][cH:11]2)[n:2][cH:3][cH:4][cH:5]1

참가 물질

반응물 3

HCID 887Methanol

HCID 8028Tetrahydrofuran

HCID 672277872-(1-(3-(1H-pyrazol-1-yl)phenyl)-3-methylbut-1-enyl)-1H-pyrrolo[2,3-b]pyridine

생성물 1

HCID 532523532-(1-(3-(1H-pyrazol-1-yl)phenyl)-3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine

출처 및 근거

ORD 기록: ord-0630a4f6910b42a4be2b1a4885dc12af
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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