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

HRID 1113938Notes

Reaction equation

HRID 1113938 reaction equation
[CH3:38][N:39]([CH3:40])[CH2:41][CH2:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH3:48].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[Cl-:59].[ClH:37].[F:24][C:25]([c:26]1[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33][n:34]1)([F:35])[F:36].[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+:60].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]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:28]([c:27]1[c:26]([C:25]([F:24])([F:35])[F:36])[n:34][cH:33][cH:32][cH:31]1)=[O:29]

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 27775472-(Trifluoromethyl)pyridine-3-carboxylic acidHCID 57386059N-[6-(3-aminophenoxy)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide

Product 1

HCID 57505730N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-2-(trifluoromethyl)nicotinamide

Sources & evidence

ORD record
ord-55a855fc750542bab4837ba482bcb5b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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