Potassium Cation → 1-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-trans-cyclohexyl]-4-[4-(5-methyl-tetrazol-1-yl)-phenoxy]-1H-pyrazolo[3,4-d]pyrimidine

HRID 2322890Notes

Reaction equation

HRID 2322890 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH3:1][c:2]1[n:3][n:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[Cl:14][c:15]1[c:16]2[c:17]([n:18][cH:19][n:20]1)[n:21]([CH:24]1[CH2:25][CH2:26][CH:27]([c:30]3[n:31][c:32]([CH:35]([CH3:36])[CH3:37])[n:33][o:34]3)[CH2:28][CH2:29]1)[n:22][cH:23]2.[K+:42].[K+:43]>>[CH3:1][c:2]1[n:3][n:4][n:5][n:6]1-[c:7]1[cH:8][cH:9][c:10]([O:13][c:15]2[c:16]3[c:17]([n:18][cH:19][n:20]2)[n:21]([CH:24]2[CH2:25][CH2:26][CH:27]([c:30]4[n:31][c:32]([CH:35]([CH3:36])[CH3:37])[n:33][o:34]4)[CH2:28][CH2:29]2)[n:22][cH:23]3)[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 167651684-(5-methyl-1H-tetrazol-1-yl)phenolHCID 57965012HCID 57965012, compound

Product 1

HCID 579649621-[4-(3-isopropyl-[1,2,4]oxadiazol-5-yl)-trans-cyclohexyl]-4-[4-(5-methyl-tetrazol-1-yl)-phenoxy]-1H-pyrazolo[3,4-d]pyrimidine

Sources & evidence

ORD record
ord-524ff97adeba44328afac9d9c680176e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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