Potassium Cation → 4-chloro-1-methyl-3-[2-methyl-5-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenoxymethyl]-1H-pyrazolo[3,4-d]pyrimidine

HRID 668669Notes

Reaction equation

HRID 668669 reaction equation
[Br:21][CH2:22][c:23]1[n:24][n:25]([CH3:33])[c:26]2[n:27][cH:28][n:29][c:30]([Cl:32])[c:31]12.[C:15](=[O:16])([O-:17])[O-:18].[CH3:1][c:2]1[c:3]([OH:14])[cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1.[K+:19].[K+:20]>>[CH3:1][c:2]1[c:3]([O:14][CH2:22][c:23]2[n:24][n:25]([CH3:33])[c:26]3[n:27][cH:28][n:29][c:30]([Cl:32])[c:31]23)[cH:4][c:5](-[c:8]2[o:9][c:10]([CH3:13])[n:11][n:12]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 575815813-bromomethyl-4-chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidineHCID 596497212-Methyl-5-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenol

Product 1

HCID 575815794-chloro-1-methyl-3-[2-methyl-5-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenoxymethyl]-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-7be93bf9a1a14df0842d7ddfdbb9ce24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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