Ammonia → 2-allyl-6-(methylthio)-1-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one

HRID 1150123Notes

Reaction equation

HRID 1150123 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[CH2:7]([CH:8]=[CH2:9])[n:10]1[nH:11][c:12]2[n:13][c:14]([S:20][CH3:21])[n:15][cH:16][c:17]2[c:18]1=[O:19].[CH3:1][NH:2][CH2:3][CH2:4][NH:5][CH3:6].[Cu:36][I:37].[I:22][c:23]1[n:24][cH:25][cH:26][cH:27][cH:28]1.[K+:33].[K+:34].[NH3:35]>>[CH2:7]([CH:8]=[CH2:9])[n:10]1[n:11](-[c:23]2[n:24][cH:25][cH:26][cH:27][cH:28]2)[c:12]2[n:13][c:14]([S:20][CH3:21])[n:15][cH:16][c:17]2[c:18]1=[O:19]

Participants

9

Reactant 8

HCID 222AmmoniaHCID 813Potassium Cation2×HCID 8070N,N'-DimethylethylenediamineHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 2211262-IodopyridineHCID 671714702-Allyl-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3(2H)-one

Product 1

HCID 671712462-allyl-6-(methylthio)-1-pyridin-2-yl-3H-pyrazolo[3,4-d]pyrimidin-3-one

Sources & evidence

ORD record
ord-ad89faf37d744c43996faa76ba783ae3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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