Formic Acid → Diethyl 2-methyl-2-(4-(4-methylpiperazin-1-yl)phenyl)malonate

반응식

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

참가 물질

반응물 3

HCID 284Formic Acid

HCID 712Formaldehyde

HCID 67382666Diethyl 2-methyl-2-(4-(piperazin-1-yl)phenyl)malonate

생성물 1

HCID 67382777Diethyl 2-methyl-2-(4-(4-methylpiperazin-1-yl)phenyl)malonate

출처 및 근거

ORD 기록: ord-0491cefb874e4f058aa1d3fc83d2440d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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