p-Toluenesulfonic acid → 3-[4-Chloro-3-(1,3-dioxan-2-yl)-phenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine

HRID 174960Notes

Reaction equation

HRID 174960 reaction equation
[CH2:23]([CH2:24][CH2:25][OH:26])[OH:27].[Cl:1][c:2]1[c:3]([CH:21]=[O:22])[cH:4][c:5](-[n:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][c:13]2=[O:14])[cH:6][cH:7]1.[Cl:39][CH2:40][Cl:41].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[Cl:1][c:2]1[c:3]([CH:21]2[O:22][CH2:23][CH2:24][CH2:25][O:26]2)[cH:4][c:5](-[n:8]2[c:9](=[O:20])[n:10]([CH3:19])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][c:13]2=[O:14])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 104421,3-PropanediolHCID 212012252-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzaldehyde

Product 1

HCID 212012313-[4-Chloro-3-(1,3-dioxan-2-yl)-phenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine

Sources & evidence

ORD record
ord-5cc25e282300472890973293ca89dd28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…