Toluene → 4-Fluorophenyl-6-isopropyl-5-methoxycarbonyl-2-trifluoromethanesulfonyloxypyrimidine

HRID 157113Notes

Reaction equation

HRID 157113 reaction equation
[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([OH:21])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1.[F:29][C:30]([S:31](=[O:32])(=[O:33])[Cl:34])([F:35])[F:36]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]([O:21][S:31]([C:30]([F:29])([F:35])[F:36])(=[O:32])=[O:33])[n:11][c:12]([CH:18]([CH3:19])[CH3:20])[c:13]2[C:14](=[O:15])[O:16][CH3:17])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1140TolueneHCID 8471TriethylamineHCID 79000Trifluoromethanesulfonyl chlorideHCID 178496923Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylate

Product 1

HCID 179896104-Fluorophenyl-6-isopropyl-5-methoxycarbonyl-2-trifluoromethanesulfonyloxypyrimidine

Sources & evidence

ORD record
ord-be300fba4da34309a9b5ff2902960c97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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