Dimethylformamide → 2-[(2-Amino-3-phenylpropyl)amino]-3-methyl-5-nitro-6-pyridin-4-ylpyrimidin-4-one

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 4134343-Phenylpropane-1,2-diamine

HCID 221396093-Methyl-2-methylsulfanyl-5-nitro-6-pyridin-4-yl-3H-pyrimidin-4-one

생성물 1

HCID 235747012-[(2-Amino-3-phenylpropyl)amino]-3-methyl-5-nitro-6-pyridin-4-ylpyrimidin-4-one

출처 및 근거

ORD 기록: ord-ebb4159ff72d45e7b350ba53bc7a6252
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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