Acetone → 6-[5-amino-3-phenyl-6-(1H-pyrazol-1-yl)-2-pyrazinyl]-2-isopropyl-3(2H)-pyridazinone

HRID 180196Notes

Reaction equation

HRID 180196 reaction equation
[CH3:37][C:38](=[O:39])[CH3:40].[Cl:33][CH:34]([Cl:35])[Cl:36].[H-:2].[NH2:8][c:9]1[n:10][c:11](-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:12](-[c:16]2[cH:17][cH:18][c:19](=[O:25])[n:20]([CH:22]([CH3:23])[CH3:24])[n:21]2)[n:13][c:14]1[Br:15].[Na+:1].[OH2:32].[nH:3]1[n:4][cH:5][cH:6][cH:7]1>>[n:3]1(-[c:14]2[c:9]([NH2:8])[n:10][c:11](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:12](-[c:16]3[cH:17][cH:18][c:19](=[O:25])[n:20]([CH:22]([CH3:23])[CH3:24])[n:21]3)[n:13]2)[n:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 923Sodium ionHCID 962WaterHCID 1048PyrazoleHCID 6212ChloroformHCID 166653HydrideHCID 866009156-(5-amino-6-bromo-3-phenyl-2-pyrazinyl)-2-isopropyl-3(2H)-pyridazinone

Product 1

HCID 693332776-[5-amino-3-phenyl-6-(1H-pyrazol-1-yl)-2-pyrazinyl]-2-isopropyl-3(2H)-pyridazinone

Sources & evidence

ORD record
ord-5d4d815edbb247af934d98d209290b6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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