Methanol → [5,6-Difluoro-4-(4-fluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]acetaldehyde

HRID 2149830Notes

Reaction equation

HRID 2149830 reaction equation
[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[N:5]([CH2:17][C:18]([F:19])([F:20])[F:21])[C:6](=[O:16])[NH:7][c:8]2[cH:9][cH:10][c:11]([F:15])[c:12]([F:14])[c:13]21.[CH3:32][S:33][CH3:34].[CH3:35][OH:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[O-:29][O+:30]=[O:31]>>[CH2:1]([CH:2]=[O:29])[C:4]1([c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[N:5]([CH2:17][C:18]([F:19])([F:20])[F:21])[C:6](=[O:16])[NH:7][c:8]2[cH:9][cH:10][c:11]([F:15])[c:12]([F:14])[c:13]21

Participants

6

Reactant 5

HCID 887MethanolHCID 1068Dimethyl SulfideHCID 8857Ethyl AcetateHCID 24823OzoneHCID 118538134-allyl-5,6-difluoro-4-(4-fluorophenyl)-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one

Product 1

HCID 86621312[5,6-Difluoro-4-(4-fluorophenyl)-2-oxo-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinazolin-4-yl]acetaldehyde

Sources & evidence

ORD record
ord-fea43cb90fd74c85957e184e9c741558
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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