Acetone → 2-Methyl-5-nitro-4-(4-phenyl-piperidin-1-yl)-6-(2,2,2-trifluoro-ethoxy)-pyrimidine

HRID 91236Notes

Reaction equation

HRID 91236 reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH3:14][c:15]1[n:16][c:17]([N:25]2[CH2:26][CH2:27][CH:28]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:29][CH2:30]2)[c:18]([N+:22](=[O:23])[O-:24])[c:19](=[O:21])[nH:20]1.[CH3:49][C:50](=[O:51])[CH3:52].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][CH2:7][C:8]([F:9])([F:10])[F:11])(=[O:12])=[O:13].[K+:47].[K+:48].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42]>>[O:6]([CH2:7][C:8]([F:9])([F:10])[F:11])[c:19]1[c:18]([N+:22](=[O:23])[O-:24])[c:17]([N:25]2[CH2:26][CH2:27][CH:28]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:29][CH2:30]2)[n:16][c:15]([CH3:14])[n:20]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 19660Carbonate Ion2×HCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 135617199HCID 135617199, compound

Product 1

HCID 187532372-Methyl-5-nitro-4-(4-phenyl-piperidin-1-yl)-6-(2,2,2-trifluoro-ethoxy)-pyrimidine

Sources & evidence

ORD record
ord-7d3bb386179844ad917ee73d3bcd78fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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