Ammonium → 2-chloro-N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-6-methylisonicotinamide

HRID 317046

Reaction equation

HRID 317046 reaction equation
[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[Cl-:57].[Cl:24][c:25]1[n:26][c:27]([CH3:34])[cH:28][c:29]([C:31](=[O:32])[OH:33])[cH:30]1.[ClH:35].[NH2:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][cH:23]1.[NH4+:58].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH:1]([c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]3[n:10]([n:11]2)[cH:12][c:13]([NH:15][C:16](=[O:17])[CH:18]2[CH2:19][CH2:20]2)[n:14]3)[cH:21][cH:22][cH:23]1)[C:31]([c:29]1[cH:28][c:27]([CH3:34])[n:26][c:25]([Cl:24])[cH:30]1)=[O:32]

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 1412092-Chloro-6-methylpyridine-4-carboxylic acidHCID 57386059N-[6-(3-aminophenoxy)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

Product 1

HCID 575057322-chloro-N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-6-methylisonicotinamide

Sources & evidence

ORD record
ord-96648d5adf1c46258104760839816103
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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