Potassium Cation → 7-(2,2-Dimethyl-propyl)-6-tetrazol-1-ylmethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

HRID 2140796Notes

Reaction equation

HRID 2140796 reaction equation
[Br:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([n:7][c:8]([C:11]#[N:12])[n:9][cH:10]2)[n:13]1[CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18].[K+:24].[K+:25].[O-:26][C:27]([O-:28])=[O:29].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:35].[nH:19]1[n:20][n:21][n:22][cH:23]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:6]([n:7][c:8]([C:11]#[N:12])[n:9][cH:10]2)[n:13]1[CH2:14][C:15]([CH3:16])([CH3:17])[CH3:18])[n:19]1[n:20][n:21][n:22][cH:23]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 113128256-Bromomethyl-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrileHCID 178418441HCID 178418441, compound

Product 1

HCID 598346827-(2,2-Dimethyl-propyl)-6-tetrazol-1-ylmethyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-6b7e18251dcd477e9e1787006067717f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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