Potassium Cation → (4,4-Difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone

HRID 285644Notes

Reaction equation

HRID 285644 reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[CH3:1][CH:2]1[N:3]([c:8]2[n:9][n:10][c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]3[c:13]2[cH:14][n:15][cH:16][cH:17]3)[CH2:4][CH2:5][NH:6][CH2:7]1.[F:24][C:25]1([F:43])[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][c:34]2[cH:35][cH:36][c:37]([N+:38]([O-:39])=[O:40])[cH:41][cH:42]2)[CH2:29][CH2:30]1.[K+:48].[K+:49]>>[CH3:1][CH:2]1[N:3]([c:8]2[n:9][n:10][c:11](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:12]3[c:13]2[cH:14][n:15][cH:16][cH:17]3)[CH2:4][CH2:5][N:6]([C:31]([N:28]2[CH2:27][CH2:26][C:25]([F:24])([F:43])[CH2:30][CH2:29]2)=[O:32])[CH2:7]1

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 576576134-Nitrophenyl 4,4-difluoropiperidin-1-carboxylateHCID 687473394-(2-Methylpiperazin-1-yl)-1-phenylpyrido[3,4-d]pyridazine

Product 1

HCID 68729396(4,4-Difluoropiperidin-1-yl)-[3-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]methanone

Sources & evidence

ORD record
ord-c1ce59dddbc0482f9f133d42b8a8b01b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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