Sodium ion → 1-(2-Fluoro-4-methanesulfonyl-phenyl)-4-[1-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-4-yloxy]-1H-pyrazolo[3,4-d]pyrimidine

HRID 2331459Notes

Reaction equation

HRID 2331459 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][o:6][c:7]([N:9]2[CH2:10][CH2:11][CH:12]([OH:15])[CH2:13][CH2:14]2)[n:8]1.[Cl:18][c:19]1[c:20]2[c:21]([n:22][cH:23][n:24]1)[n:25](-[c:28]1[c:29]([F:38])[cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]1)[n:26][cH:27]2.[H-:16].[Na+:17].[OH2:39]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][o:6][c:7]([N:9]2[CH2:10][CH2:11][CH:12]([O:15][c:19]3[c:20]4[c:21]([n:22][cH:23][n:24]3)[n:25](-[c:28]3[c:29]([F:38])[cH:30][c:31]([S:34](=[O:35])(=[O:36])[CH3:37])[cH:32][cH:33]3)[n:26][cH:27]4)[CH2:13][CH2:14]2)[n:8]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 166653HydrideHCID 218976614-Chloro-1-(2-fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidineHCID 218977441-(3-Isopropyl-1,2,4-oxadiazol-5-YL)piperidin-4-OL

Product 1

HCID 218978311-(2-Fluoro-4-methanesulfonyl-phenyl)-4-[1-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-piperidin-4-yloxy]-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-3c2237eec8864876aea86e172af300e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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