Chloride → [2,4-Dimethyl-6-(3-trifluoromethoxy-phenyl)-pyridin-3-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

반응식

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

참가 물질

반응물 3

HCID 312Chloride

HCID 787034-(1-Pyrrolidinyl)piperidine

HCID 669015362,4-Dimethyl-6-(3-trifluoromethoxy-phenyl)-nicotinic acid

생성물 1

HCID 57580524[2,4-Dimethyl-6-(3-trifluoromethoxy-phenyl)-pyridin-3-yl]-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone

출처 및 근거

ORD 기록: ord-1905cb99eaea467b984409665a79f034
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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