Hydrochloric Acid → 3-Methyl-1-(2-methylpropyl)-6-(pyridin-4-ylmethyl)pyrrolo[3,4-d]pyridazin-4-one

HRID 109181

Reaction equation

HRID 109181 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[CH3:1][n:2]1[n:3][c:4]([CH2:12][CH:13]([CH3:14])[CH3:15])[c:5]2[c:6]([c:7]1=[O:8])[cH:9][nH:10][cH:11]2.[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[Cl:23][CH2:24][c:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1.[ClH:22].[Cs+:20].[Cs+:21]>>[CH3:1][n:2]1[n:3][c:4]([CH2:12][CH:13]([CH3:14])[CH3:15])[c:5]2[c:6]([c:7]1=[O:8])[cH:9][n:10]([CH2:24][c:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1)[cH:11]2

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 745714-(Chloromethyl)pyridineHCID 104967Cesium cation2×HCID 1355247842-methyl-4-(2-methylpropyl)-1H,2H,6H-pyrrolo[3,4-d]pyridazin-1-one

Product 1

HCID 235032633-Methyl-1-(2-methylpropyl)-6-(pyridin-4-ylmethyl)pyrrolo[3,4-d]pyridazin-4-one

Sources & evidence

ORD record
ord-6599929750d6410ea6ab5cb8829e128e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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