Ethanol → 1-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridin-2(3H)-one

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 585777333-[4-(benzyloxy)phenyl]-1-ethyl-6-(2,2,2-trifluoroethoxy)-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

생성물 1

HCID 679935151-ethyl-3-(4-hydroxyphenyl)-6-(2,2,2-trifluoroethoxy)-1H-imidazo[4,5-b]pyridin-2(3H)-one

출처 및 근거

ORD 기록: ord-d0c38012f8da4f03b2b78f3ef566052a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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