Pyridine → 2-[2-(4-Dimethylaminomethyl-2-pyridylmethylthio)ethylamino]-5-(6-methyl-3-pyridylmethyl)-4-pyrimidone

반응식

[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7]([CH2:11][S:12][CH2:13][CH2:14][NH2:15])[n:8][cH:9][cH:10]1.[N+:16]([NH:17][c:20]1[n:21][cH:22][c:23]([CH2:27][c:28]2[cH:29][n:30][c:31]([CH3:34])[cH:32][cH:33]2)[c:24](=[O:26])[nH:25]1)([O-:18])=[O:19].[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][c:7]([CH2:11][S:12][CH2:13][CH2:14][NH:15][c:20]2[n:21][cH:22][c:23]([CH2:27][c:28]3[cH:29][n:30][c:31]([CH3:34])[cH:32][cH:33]3)[c:24](=[O:26])[nH:25]2)[n:8][cH:9][cH:10]1

참가 물질

반응물 3

HCID 1049Pyridine

HCID 30183605-((6-Methyl-3-pyridyl)methyl)-2-(nitroamino)-1H-pyrimidin-4-one

HCID 132773272-(4-Dimethylaminomethyl-2-pyridylmethylthio)ethylamine

생성물 1

HCID 132926042-[2-(4-Dimethylaminomethyl-2-pyridylmethylthio)ethylamino]-5-(6-methyl-3-pyridylmethyl)-4-pyrimidone

출처 및 근거

ORD 기록: ord-94d8ce88a04f4734bf6f4806623b8abc
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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