4-Nitrobenzaldehyde → 4-Amino-5-chloro-2-methoxy-N-((1-(5-(4-nitrobenzylamino)pentyl)-piperidin-4-yl)methyl)benzamide

반응식

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

참가 물질

반응물 2

HCID 5414-Nitrobenzaldehyde

HCID 540083634-Amino-N-(1-(5-aminopentyl)piperidin-4-ylmethyl)-5-chloro-2-methoxybenzamide

생성물 1

HCID 544488654-Amino-5-chloro-2-methoxy-N-((1-(5-(4-nitrobenzylamino)pentyl)-piperidin-4-yl)methyl)benzamide

출처 및 근거

ORD 기록: ord-85c68587ff11460093d97ebae27eee3d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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