Ethyl Acetate → 3-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 589023661-Methyl-4-[[3-nitro-5-(trifluoromethyl)phenyl]methyl]piperazine

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 231550523-((4-Methylpiperazin-1-yl)methyl)-5-(trifluoromethyl)aniline

출처 및 근거

ORD 기록: ord-bebc4b8663ba4477b7b849ae751e6aec
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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