Ammonia → 6-(1-Isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-3-methoxy-5-phenyl-2-pyrazinecarbonitrile

반응식

[CH3:28][OH:29].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6](-[c:11]2[n:12][c:13]([C:25]#[N:26])[c:14]([C:23]#[N:24])[n:15][c:16]2-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:7][cH:8][c:9]1=[O:10].[NH3:27]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][c:6](-[c:11]2[n:12][c:13]([C:25]#[N:26])[c:14]([O:29][CH3:28])[n:15][c:16]2-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:7][cH:8][c:9]1=[O:10]

참가 물질

반응물 3

HCID 222Ammonia

HCID 887Methanol

HCID 693333355-(1-Isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-6-phenyl-2,3-pyrazinedicarbonitrile

생성물 1

HCID 693319586-(1-Isopropyl-6-oxo-1,6-dihydro-3-pyridazinyl)-3-methoxy-5-phenyl-2-pyrazinecarbonitrile

출처 및 근거

ORD 기록: ord-502dd54cdba94493a6814f60dd7555ce
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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