Acetone → 6-[4-(2,4-Dimethoxy-phenyl)-piperidin-1-ylmethyl]-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

HRID 139602Notes

Reaction equation

HRID 139602 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:35](=[O:36])([O-:37])[O-:38].[CH3:19][O:20][c:21]1[c:22]([CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:23][cH:24][c:25]([O:27][CH3:28])[cH:26]1.[CH3:41][C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[K+:39].[K+:40]>>[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:32]1[CH2:31][CH2:30][CH:29]([c:22]2[c:21]([O:20][CH3:19])[cH:26][c:25]([O:27][CH3:28])[cH:24][cH:23]2)[CH2:34][CH2:33]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 113128256-Bromomethyl-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrileHCID 220292234-(2,4-Dimethoxyphenyl)piperidine

Product 1

HCID 179681936-[4-(2,4-Dimethoxy-phenyl)-piperidin-1-ylmethyl]-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-e752ee3930164cb89031d5670dee66bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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