Dimethyl Sulfoxide → 7-(2,2-dimethyl-propyl)-6-(3-nitro-[1,2,4]triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

HRID 2139069Notes

Reaction equation

HRID 2139069 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].[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][S:34]([CH3:35])=[O:36].[K+:31].[K+:32].[N+:19](=[O:20])([O-:21])[c:22]1[n:23][nH:24][cH:25][n:26]1.[OH2:37]>>[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:24]1[n:23][c:22]([N+:19](=[O:20])[O-:21])[n:26][cH:25]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 113128256-Bromomethyl-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrileHCID 178526901HCID 178526901, compound

Product 1

HCID 101320297-(2,2-dimethyl-propyl)-6-(3-nitro-[1,2,4]triazol-1-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-08638c95ff3541b78d9fdb9404e84b54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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