Sodium ion → N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide

HRID 699204Notes

Reaction equation

HRID 699204 reaction equation
[CH3:1][n:2]1[n:3][c:4]([CH3:10])[c:5]([C:7](=[O:8])[OH:9])[cH:6]1.[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:11][C:12]([C:13]([Cl:14])=[O:15])=[O:16].[Cl:42][CH2:43][Cl:44].[NH2:17][c:18]1[cH:19][c:20]([O:21][c:22]2[cH:23][cH:24][c:25]3[n:26]([n:27]2)[cH:28][c:29]([NH:31][C:32](=[O:33])[CH:34]2[CH2:35][CH2:36]2)[n:30]3)[cH:37][cH:38][cH:39]1.[Na+:41].[OH-:40]>>[CH3:1][n:2]1[n:3][c:4]([CH3:10])[c:5]([C:7](=[O:8])[NH:17][c:18]2[cH:19][c:20]([O:21][c:22]3[cH:23][cH:24][c:25]4[n:26]([n:27]3)[cH:28][c:29]([NH:31][C:32](=[O:33])[CH:34]3[CH2:35][CH2:36]3)[n:30]4)[cH:37][cH:38][cH:39]2)[cH:6]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 13387N-methyl-2-pyrrolidoneHCID 65578Oxalyl chlorideHCID 12733041,3-dimethyl-1H-pyrazole-4-carboxylic acidHCID 57386059N-[6-(3-aminophenoxy)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

Product 1

HCID 57505533N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-bc66751134b640f0acb54e825da3a1b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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