Potassium Cation → 2-[1-(2,6-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(3-hydroxyazetidin-1-yl)-N-(5-methylpyrazin-2-yl)propanamide

HRID 206586Notes

Reaction equation

HRID 206586 reaction equation
[C:58](=[O:59])([O-:60])[O-:61].[C:6]([Si:7]([CH3:8])([CH3:9])[O:11][CH:12]1[CH2:13][N:14]([CH2:16][CH:17]([C:18](=[O:19])[NH:20][c:21]2[n:22][cH:23][c:24]([CH3:27])[n:25][cH:26]2)[O:28][c:29]2[c:30]3[c:31]([n:32][cH:33][n:34]2)[n:35](-[c:38]2[c:39]([Cl:45])[cH:40][cH:41][cH:42][c:43]2[Cl:44])[n:36][cH:37]3)[CH2:15]1)([CH3:10])([CH3:46])[CH3:47].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:1][S:2]([OH:3])(=[O:4])=[O:5].[CH3:53][S:54](=[O:55])(=[O:56])[OH:57].[CH3:65][O:66][C:67]([CH3:68])([CH3:69])[CH3:70].[K+:62].[K+:63].[OH2:64]>>[OH:11][CH:12]1[CH2:13][N:14]([CH2:16][CH:17]([C:18](=[O:19])[NH:20][c:21]2[n:22][cH:23][c:24]([CH3:27])[n:25][cH:26]2)[O:28][c:29]2[c:30]3[c:31]([n:32][cH:33][n:34]2)[n:35](-[c:38]2[c:39]([Cl:45])[cH:40][cH:41][cH:42][c:43]2[Cl:44])[n:36][cH:37]3)[CH2:15]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6395Methanesulfonic Acid2×HCID 8028TetrahydrofuranHCID 15413tert-Butyl methyl etherHCID 19660Carbonate IonHCID 668132593-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2-[1-(2,6-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-methylpyrazin-2-yl)propanamide

Product 1

HCID 668131982-[1-(2,6-dichlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(3-hydroxyazetidin-1-yl)-N-(5-methylpyrazin-2-yl)propanamide

Sources & evidence

ORD record
ord-4dac4cbac2c547b8bdf9565843e893e7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…