Acetone → 3-[8-(1-Ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazin-3-yl]-2-methyl-imidazo[1,2-a]pyridine-8-carboxaldehyde

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 313Hydrochloric Acid

HCID 688555073-(8-Diethoxymethyl-2-methyl-imidazo[1,2-a]pyridin-3-yl)-8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazine

생성물 1

HCID 577525973-[8-(1-Ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazin-3-yl]-2-methyl-imidazo[1,2-a]pyridine-8-carboxaldehyde

출처 및 근거

ORD 기록: ord-7c479696862444bdaa35180d35e1b8a6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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