Potassium Cation → t-Butyl 4-[1-(2-butynyl)-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl]piperazine-1-carboxylate

HRID 210140Notes

Reaction equation

HRID 210140 reaction equation
[Br:1][c:2]1[n:3]([CH2:12][C:13]#[C:14][CH3:15])[c:4]2[c:5]([cH:6][n:7][nH:8][c:9]2=[O:10])[n:11]1.[C:16](=[O:17])([O-:18])[O-:19].[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[K+:20].[K+:21].[OH2:35]>>[c:2]1([N:32]2[CH2:31][CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][CH2:33]2)[n:3]([CH2:12][C:13]#[C:14][CH3:15])[c:4]2[c:5]([cH:6][n:7][nH:8][c:9]2=[O:10])[n:11]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 143452tert-Butyl piperazine-1-carboxylateHCID 219476582-Bromo-3-(but-2-ynyl)-3,5-dihydro-imidazo[4,5-d]pyridazin-4-one

Product 1

HCID 21098100t-Butyl 4-[1-(2-butynyl)-7-oxo-6,7-dihydro-1H-imidazo[4,5-d]pyridazin-2-yl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-40dd971440984358a124cd35ab3cff8b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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