Hydrochloric Acid → 1,3-dimethyl-N-{2-methyl-5-[(2-{[(1-methylcyclopropyl)carbonyl]amino}imidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}-1H-pyrazole-5-carboxamide

HRID 200319Notes

Reaction equation

HRID 200319 reaction equation
[C:64]([O:65][CH2:66][CH3:67])(=[O:68])[CH3:69].[CH3:1][C:2]1([C:5](=[O:6])[OH:7])[CH2:3][CH2:4]1.[CH3:53][N:54]([CH3:55])[C:56](=[O:57])[CH3:58].[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[Cl:8][C:9]([C:10]([Cl:11])=[O:12])=[O:13].[ClH:14].[NH2:15][c:16]1[n:17][c:18]2[n:19]([n:20][c:21]([O:24][c:25]3[cH:26][cH:27][c:28]([CH3:41])[c:29]([NH:31][C:32](=[O:33])[c:34]4[cH:35][c:36]([CH3:40])[n:37][n:38]4[CH3:39])[cH:30]3)[cH:22][cH:23]2)[cH:42]1.[Na+:43].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH:44][C:45](=[O:46])[O-:47]>>[CH3:1][C:2]1([C:5](=[O:7])[NH:15][c:16]2[n:17][c:18]3[n:19]([n:20][c:21]([O:24][c:25]4[cH:26][cH:27][c:28]([CH3:41])[c:29]([NH:31][C:32](=[O:33])[c:34]5[cH:35][c:36]([CH3:40])[n:37][n:38]5[CH3:39])[cH:30]4)[cH:22][cH:23]3)[cH:42]2)[CH2:3][CH2:4]1

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028Tetrahydrofuran2×HCID 8857Ethyl AcetateHCID 31374DimethylacetamideHCID 65578Oxalyl chlorideHCID 813261-Methylcyclopropanecarboxylic acidHCID 57505636N-[5-(2-aminoimidazo[1,2-b]pyridazin-6-yl)oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide

Product 1

HCID 575056421,3-dimethyl-N-{2-methyl-5-[(2-{[(1-methylcyclopropyl)carbonyl]amino}imidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}-1H-pyrazole-5-carboxamide

Sources & evidence

ORD record
ord-d7bb1f4aa7a84ea594e70fd87be180b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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