1,2-Dichlorobenzene → 6-(5-amino-3-phenyl-2-pyrazinyl)-2-isopropyl-3(2H)-pyridazinone

반응식

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

참가 물질

반응물 2

HCID 72391,2-Dichlorobenzene

HCID 693332313-Amino-6-(1-isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-5-phenyl-2-pyrazinecarboxylic acid

생성물 1

HCID 115657766-(5-amino-3-phenyl-2-pyrazinyl)-2-isopropyl-3(2H)-pyridazinone

출처 및 근거

ORD 기록: ord-3daa610f0dd64b49afb96a2fc56cf258
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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