Dimethyl Sulfoxide → 4-(4-Tert-butoxycarbonyl-piperazin-1-yl)-6-(3-trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile

HRID 673361Notes

Reaction equation

HRID 673361 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([S:30]([CH3:31])(=[O:32])=[O:33])[n:17][c:18](-[c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:19]2)[CH2:12][CH2:13]1.[CH3:37][S:38](=[O:39])[CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Na:34][C:35]#[N:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[n:15][c:16]([C:35]#[N:36])[n:17][c:18](-[c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:19]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 8857Ethyl AcetateHCID 588780574-[2-Methanesulfonyl-6-(3-trifluoromethyl-phenyl)-pyrimidin-4-yl]-piperazine-1-carboxylic acid tert-butyl esterHCID 178511850HCID 178511850, compound

Product 1

HCID 588780604-(4-Tert-butoxycarbonyl-piperazin-1-yl)-6-(3-trifluoromethyl-phenyl)-pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-5e5d74aa92554b5f97018c10fecde22e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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