Methanol → 3-[4-Chloro-3-(4-chloro-3-oxobut-1-enyl)-phenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine

HRID 682099Notes

Reaction equation

HRID 682099 reaction equation
[CH3:47][OH:48].[Cl:1][CH2:2][C:3](=[O:4])[CH:5]=[P:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[Cl:25][c:26]1[c:27]([CH:45]=[O:46])[cH:28][c:29](-[n:32]2[c:33](=[O:44])[n:34]([CH3:43])[c:35]([C:39]([F:40])([F:41])[F:42])[cH:36][c:37]2=[O:38])[cH:30][cH:31]1>>[Cl:1][CH2:2][C:3](=[O:4])[CH:5]=[CH:45][c:27]1[c:26]([Cl:25])[cH:31][cH:30][c:29](-[n:32]2[c:33](=[O:44])[n:34]([CH3:43])[c:35]([C:39]([F:40])([F:41])[F:42])[cH:36][c:37]2=[O:38])[cH:28]1

Participants

4

Reactant 3

HCID 887MethanolHCID 2870041-Chloro-3-(triphenyl phosphoranylidene)propan-2-oneHCID 212012252-Chloro-5-[3,6-dihydro-2,6-dioxo-3-methyl-4-trifluoromethyl-1(2H)-pyrimidinyl]benzaldehyde

Product 1

HCID 867568583-[4-Chloro-3-(4-chloro-3-oxobut-1-enyl)-phenyl]-2,4-dioxo-1-methyl-6-trifluoromethyl-1,2,3,4-tetrahydropyrimidine

Sources & evidence

ORD record
ord-6e4881c6787b4df1af2440f512d53e07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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