2,6-Lutidine → 4-[3-(4-Methyl-piperidin-1-yl)-4-nitro-phenyl]-piperazine-1-carboxylic acid benzyl ester

반응식

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

참가 물질

반응물 3

HCID 79372,6-Lutidine

HCID 643495Benzyl piperazine-1-carboxylate

HCID 586385011-(5-Chloro-2-nitro-phenyl)-4-methyl-piperidine

생성물 1

HCID 586385074-[3-(4-Methyl-piperidin-1-yl)-4-nitro-phenyl]-piperazine-1-carboxylic acid benzyl ester

출처 및 근거

ORD 기록: ord-0b13fbd3735f4d8f92a28704a1a3282d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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