Toluene → 3-[4-(2-Chloroethyl)phenyl]-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridine

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 24386Thionyl Chloride

HCID 218761722-[4-(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]ethanol

생성물 1

HCID 218760023-[4-(2-Chloroethyl)phenyl]-2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridine

출처 및 근거

ORD 기록: ord-3710c9b000c24e6e89527a09b4b56265
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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