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

HRID 2149920Notes

Reaction equation

HRID 2149920 reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4][n:5]([CH3:11])[c:6]([C:8](=[O:9])[OH:10])[cH:7]1.[CH3:12][N:13]([CH3:14])[CH:15]=[O:16].[CH3:58][N:59]([CH3:60])[C:61](=[O:62])[CH3:63].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[NH2:23][c:24]1[cH:25][c:26]([O:27][c:28]2[cH:29][cH:30][c:31]3[n:32]([n:33]2)[cH:34][c:35]([NH:37][C:38](=[O:39])[CH:40]2[CH:41]([CH3:43])[CH2:42]2)[n:36]3)[cH:44][cH:45][c:46]1[F:47].[Na+:48].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH:49][C:50](=[O:51])[O-:52]>>[CH2:1]([CH3:2])[c:3]1[n:4][n:5]([CH3:11])[c:6]([C:8](=[O:10])[NH:23][c:24]2[cH:25][c:26]([O:27][c:28]3[cH:29][cH:30][c:31]4[n:32]([n:33]3)[cH:34][c:35]([NH:37][C:38](=[O:39])[CH:40]3[CH:41]([CH3:43])[CH2:42]3)[n:36]4)[cH:44][cH:45][c:46]2[F:47])[cH:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 31374DimethylacetamideHCID 65578Oxalyl chlorideHCID 8205653-ethyl-1-methyl-1H-pyrazole-5-carboxylic acidHCID 57505466N-[6-(3-amino-4-fluorophenoxy)imidazo[1,2-b]pyridazin-2-yl]-2-methylcyclopropanecarboxamide

Product 1

HCID 575056103-ethyl-N-{2-fluoro-5-[(2-{[(2-methylcyclopropyl)carbonyl]amino}imidazo[1,2-b]pyridazin-6-yl)oxy]phenyl}-1-methyl-1H-pyrazole-5-carboxamide

Sources & evidence

ORD record
ord-48b04b095b9d4f94bb08148c25c1f261
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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