Ethanol → 2-(4-Aminomethyl-4-fluoro-piperidin-1-ylmethyl)-4,6-dichlorophenol

반응식

[CH3:32][CH2:33][OH:34].[Cl:3][c:4]1[c:5]([OH:31])[c:6]([CH2:7][N:8]2[CH2:9][CH2:10][C:11]([F:14])([CH2:15][N:16]3[C:17](=[O:18])[c:19]4[c:20]([cH:21][cH:22][cH:23][cH:24]4)[C:25]3=[O:26])[CH2:12][CH2:13]2)[cH:27][c:28]([Cl:30])[cH:29]1.[NH2:1][NH2:2]>>[Cl:3][c:4]1[c:5]([OH:31])[c:6]([CH2:7][N:8]2[CH2:9][CH2:10][C:11]([F:14])([CH2:15][NH2:16])[CH2:12][CH2:13]2)[cH:27][c:28]([Cl:30])[cH:29]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 9321Hydrazine

HCID 690694182-[1-(3,5-Dichloro-2-hydroxy-benzyl)-4-fluoro-piperidin-4-ylmethyl]-isoindole-1,3-dione

생성물 1

HCID 230692642-(4-Aminomethyl-4-fluoro-piperidin-1-ylmethyl)-4,6-dichlorophenol

출처 및 근거

ORD 기록: ord-1f502bcf3edc44348839456f03e24ef3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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