Ethanol → 6-(4-Ethoxy-3-trifluoromethyl-phenyl)-2-(3-morpholin-4-yl-propyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile

반응식

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

참가 물질

반응물 2

HCID 702Ethanol

HCID 685148376-(4-ethoxy-3-trifluoromethyl-phenyl)-2-(3-morpholin-4-yl-propenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile

생성물 1

HCID 589381246-(4-Ethoxy-3-trifluoromethyl-phenyl)-2-(3-morpholin-4-yl-propyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile

출처 및 근거

ORD 기록: ord-6eba3dbdaff74e7ab22d235f0ff41260
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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