Formic Acid → 3-(4-Bromo-2,6-dimethylphenoxymethyl)-1-methylpiperidine

반응식

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

참가 물질

반응물 3

HCID 284Formic Acid

HCID 712Formaldehyde

HCID 158952203-[(4-Bromo-2,6-dimethylphenoxy)methyl]piperidine

생성물 1

HCID 99486563-(4-Bromo-2,6-dimethylphenoxymethyl)-1-methylpiperidine

출처 및 근거

ORD 기록: ord-bb772b61455942adb9d4ab0f67d6fe24
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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