Hydrochloric Acid → (rac)-4-{3-[1-(5,7-Difluoro-quinolin-6-yl)-ethyl]-imidazo[1,2-b]pyridazin-6-yl}-1-methyl-piperazin-2-one

HRID 1117192Notes

Reaction equation

HRID 1117192 reaction equation
[CH2:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH:41]([CH3:42])[CH3:43])[CH3:44].[CH3:28][N:29]1[C:30](=[O:35])[CH2:31][NH:32][CH2:33][CH2:34]1.[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH:11]([CH3:12])[c:13]1[c:14]([F:24])[c:15]3[cH:16][cH:17][cH:18][n:19][c:20]3[cH:21][c:22]1[F:23])[cH:9][n:10]2.[ClH:27].[F-:25].[K+:26]>>[c:2]1([N:32]2[CH2:31][C:30](=[O:35])[N:29]([CH3:28])[CH2:34][CH2:33]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[c:8]([CH:11]([CH3:12])[c:13]1[c:14]([F:24])[c:15]3[cH:16][cH:17][cH:18][n:19][c:20]3[cH:21][c:22]1[F:23])[cH:9][n:10]2

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 8857Ethyl AcetateHCID 13387N-methyl-2-pyrrolidoneHCID 28179Fluoride IonHCID 81531DiisopropylethylamineHCID 43990421-Methylpiperazin-2-oneHCID 58147541(Rac)-6-[1-(6-chloro-imidazo[1,2-b]pyridazin-3-yl)-ethyl]-5,7-difluoro-quinoline

Product 1

HCID 50914186(rac)-4-{3-[1-(5,7-Difluoro-quinolin-6-yl)-ethyl]-imidazo[1,2-b]pyridazin-6-yl}-1-methyl-piperazin-2-one

Sources & evidence

ORD record
ord-533106b7d7e846efa65ee09a34488f31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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