Acetone → 2-[2-(4-Trifluoromethyl-phenyl)-vinyl]-oxazole-4-carboxylic acid methyl-[4-(4-[1,2,3]triazol-1-yl-butyl)-phenyl]-amide

HRID 292521Notes

Reaction equation

HRID 292521 reaction equation
[CH3:40][C:41](=[O:42])[CH3:43].[I:38][CH3:39].[K+:37].[OH-:36].[n:1]1([CH2:6][CH2:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:16][C:17](=[O:18])[c:19]3[n:20][c:21]([CH:24]=[CH:25][c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[o:22][cH:23]3)[cH:14][cH:15]2)[n:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH2:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([N:16]([C:17](=[O:18])[c:19]3[n:20][c:21]([CH:24]=[CH:25][c:26]4[cH:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[o:22][cH:23]3)[CH3:39])[cH:14][cH:15]2)[n:2][n:3][cH:4][cH:5]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium CationHCID 961HydroxideHCID 6328Methyl iodideHCID 727876562-[2-(4-Trifluoromethyl-phenyl)-vinyl]-oxazole-4-carboxylic acid [4-(4-[1,2,3]triazol-1-yl-butyl)-phenyl]-amide

Product 1

HCID 694876312-[2-(4-Trifluoromethyl-phenyl)-vinyl]-oxazole-4-carboxylic acid methyl-[4-(4-[1,2,3]triazol-1-yl-butyl)-phenyl]-amide

Sources & evidence

ORD record
ord-f7a94e1e56094ee48a32ec81f06caff1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…