Formic Acid → Diethyl 2-(4-(4-methylpiperazin-1-yl)benzyl)-2-methylmalonate

반응식

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

참가 물질

반응물 3

HCID 284Formic Acid

HCID 712Formaldehyde

HCID 67382829Diethyl 2-(4-(piperazin-1-yl)benzyl)-2-methylmalonate

생성물 1

HCID 67383064Diethyl 2-(4-(4-methylpiperazin-1-yl)benzyl)-2-methylmalonate

출처 및 근거

ORD 기록: ord-857280ed66634c2581cf6414e18d67cf
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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