Ethanol → 5-Amino-4-(methylamino)-2-(4-trifluoromethyl-piperidin-1-yl)benzonitrile

반응식

[CH3:1][NH:2][c:3]1[cH:4][c:5]([N:14]2[CH2:15][CH2:16][CH:17]([C:20]([F:21])([F:22])[F:23])[CH2:18][CH2:19]2)[c:6]([C:7]#[N:8])[cH:9][c:10]1[N+:11]([O-:12])=[O:13].[CH3:24][CH2:25][O:26][C:27]([CH3:28])=[O:29].[CH3:30][CH2:31][OH:32]>>[CH3:1][NH:2][c:3]1[cH:4][c:5]([N:14]2[CH2:15][CH2:16][CH:17]([C:20]([F:21])([F:22])[F:23])[CH2:18][CH2:19]2)[c:6]([C:7]#[N:8])[cH:9][c:10]1[NH2:11]

참가 물질

반응물 3

HCID 702Ethanol

HCID 8857Ethyl Acetate

HCID 679578224-(Methylamino)-5-nitro-2-(4-trifluoromethyl-piperidin-1-yl)benzonitrile

생성물 1

HCID 679578515-Amino-4-(methylamino)-2-(4-trifluoromethyl-piperidin-1-yl)benzonitrile

출처 및 근거

ORD 기록: ord-6ac18a91b6074b73957dedf6fa92bfa9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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