Ammonium → 1-[1-(6-Chloro-pyridazin-3-yl)-piperidin-4-yl]-4-(4-methanesulfonyl-phenoxy)-1H-pyrazolo[3,4-d]pyrimidine

HRID 192463Notes

Reaction equation

HRID 192463 reaction equation
[C:42](=[O:43])([O-:44])[O-:45].[CH3:16][S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23]([O:24][c:25]2[c:26]3[c:27]([n:28][cH:29][n:30]2)[n:31]([CH:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[n:32][cH:33]3)[cH:40][cH:41]1.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[Cl-:48].[Cl:1][c:2]1[n:3][n:4][c:5]([Cl:8])[cH:6][cH:7]1.[F:9][C:10]([F:11])([F:12])[C:13]([OH:14])=[O:15].[K+:46].[K+:47].[NH4+:49]>>[Cl:1][c:2]1[n:3][n:4][c:5]([N:37]2[CH2:36][CH2:35][CH:34]([n:31]3[c:27]4[c:26]([c:25]([O:24][c:23]5[cH:22][cH:21][c:20]([S:17]([CH3:16])(=[O:18])=[O:19])[cH:41][cH:40]5)[n:30][cH:29][n:28]4)[cH:33][n:32]3)[CH2:39][CH2:38]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 673313,6-DichloropyridazineHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 579650581-[1-(6-Chloro-pyridazin-3-yl)-piperidin-4-yl]-4-(4-methanesulfonyl-phenoxy)-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-59191163702140189b588bb5a677b768
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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