Acetate → Omipalisib

HRID 2349679Notes

Reaction equation

HRID 2349679 reaction equation
[Br-:23].[Br:1][c:2]1[cH:3][c:4]2[c:5](-[c:12]3[cH:13][n:14][n:15][cH:16][cH:17]3)[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1.[Br:24][c:25]1[cH:26][c:27]([NH:33][S:34](=[O:35])(=[O:36])[c:37]2[c:38]([F:44])[cH:39][c:40]([F:43])[cH:41][cH:42]2)[c:28]([O:31][CH3:32])[n:29][cH:30]1.[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:19][C:20](=[O:21])[O-:22].[K+:18]>>[c:2]1(-[c:25]2[cH:26][c:27]([NH:33][S:34](=[O:35])(=[O:36])[c:37]3[c:38]([F:44])[cH:39][c:40]([F:43])[cH:41][cH:42]3)[c:28]([O:31][CH3:32])[n:29][cH:30]2)[cH:3][c:4]2[c:5](-[c:12]3[cH:13][n:14][n:15][cH:16][cH:17]3)[cH:6][cH:7][n:8][c:9]2[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 175AcetateHCID 259Bromide ionHCID 813Potassium CationHCID 312751,4-DioxaneHCID 59859951N-(5-bromo-2-methoxypyridin-3-yl)-2,4-difluorobenzenesulfonamideHCID 667823086-Bromo-4-(pyridazin-4-yl)quinoline

Product 1

HCID 25167777Omipalisib

Sources & evidence

ORD record
ord-fba3716416b540ebad2f78981e7efd6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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