Ethanol → 4-{4-[4-(2-Fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2,5-bis(methyloxy)aniline

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 8857Ethyl Acetate

HCID 594529191-{1-[2,5-Bis(methyloxy)-4-nitrophenyl]-4-piperidinyl}-4-(2-fluoroethyl)piperazine

생성물 1

HCID 594526854-{4-[4-(2-Fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2,5-bis(methyloxy)aniline

출처 및 근거

ORD 기록: ord-9c536aa6041d4d798d8632122cecd122
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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