4-Nitrobenzaldehyde → 1-Boc-4-(4-Nitrobenzyl)piperazine

반응식

[CH3:25][CH:26]1[N:27]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:28][CH2:29][N:30]([CH2:32][c:33]2[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[CH2:31]1.[N+:1]([c:2]1[cH:3][cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9]1)([O-:10])=[O:11].[N:12]1([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1>>[CH2:26]1[N:27]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[CH2:28][CH2:29][N:30]([CH2:32][c:33]2[cH:34][cH:35][c:36]([N+:39](=[O:40])[O-:41])[cH:37][cH:38]2)[CH2:31]1

참가 물질

반응물 3

HCID 5414-Nitrobenzaldehyde

HCID 143452tert-Butyl piperazine-1-carboxylate

HCID 178430372tert-butyl 2-methyl-4-[(4-nitrophenyl)methyl]piperazine-1-carboxylate

생성물 1

HCID 235069461-Boc-4-(4-Nitrobenzyl)piperazine

출처 및 근거

ORD 기록: ord-fe1f84b128524f50bd91a79c2b0c4b43
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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