Dimethyl Sulfoxide → (4-(1-(2-Cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate

HRID 134414Notes

Reaction equation

HRID 134414 reaction equation
[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16][c:17]2-[c:18]1[cH:19][n:20][nH:21][cH:22]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:32][S:33](=[O:34])[CH3:35].[CH:23]1([CH:28]=[CH:29][C:30]#[N:31])[CH2:24][CH2:25][CH2:26][CH2:27]1.[K+:40].[K+:41]>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16][c:17]2-[c:18]1[cH:19][n:20][n:21]([CH:28]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:29][C:30]#[N:31])[cH:22]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 534011163-Cyclopentylprop-2-enenitrileHCID 57868869(4-(1H-Pyrazol-4-yl)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)methyl pivalate

Product 1

HCID 59420158(4-(1-(2-Cyano-1-cyclopentylethyl)-1h-pyrazol-4-yl)-7h-pyrrolo[2,3-d]pyrimidin-7-yl)methyl pivalate

Sources & evidence

ORD record
ord-e6b0d40551844f339c883ded80be0bca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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