Ethanol → 2-[2-(Aminomethyl)-4-chlorophenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

HRID 175561

반응식

[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH2:21][C:22](=[O:23])[N:24]2[CH:25]([CH3:39])[CH2:26][N:27]([CH2:31][c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH:28]([CH3:30])[CH2:29]2)[c:6]([CH2:7][N:8]2[C:9](=[O:10])[c:11]3[c:12]([cH:13][cH:14][cH:15][cH:16]3)[C:17]2=[O:18])[cH:19]1.[NH2:40][NH2:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:20][CH2:21][C:22](=[O:23])[N:24]2[CH:25]([CH3:39])[CH2:26][N:27]([CH2:31][c:32]3[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]3)[CH:28]([CH3:30])[CH2:29]2)[c:6]([CH2:7][NH2:8])[cH:19]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 9321Hydrazine

HCID 219734982-[[5-Chloro-2-[2-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]phenyl]methyl]isoindole-1,3-dione

생성물 1

HCID 219734092-[2-(Aminomethyl)-4-chlorophenoxy]-1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

출처 및 근거

ORD 기록: ord-a72c391154ad4b8ab49751fb1e0f2f15
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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