Sodium ion → 3-{2-[2-(2-Fluoro-4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-6-(4-[1,2,3]triazol-1-yl-butyl)-pyridazine

HRID 2162208Notes

Reaction equation

HRID 2162208 reaction equation
[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:27][c:28]1[n:29][n:30][c:31]([CH2:34][CH2:35][CH2:36][CH2:37][n:38]2[n:39][n:40][cH:41][cH:42]2)[cH:32][cH:33]1.[F:1][c:2]1[c:3]([CH:12]=[CH:13][c:14]2[o:15][cH:16][c:17]([CH2:19][OH:20])[n:18]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Na+:26].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1>>[F:1][c:2]1[c:3]([CH:12]=[CH:13][c:14]2[o:15][cH:16][c:17]([CH2:19][O:20][c:28]3[n:29][n:30][c:31]([CH2:34][CH2:35][CH2:36][CH2:37][n:38]4[n:39][n:40][cH:41][cH:42]4)[cH:32][cH:33]3)[n:18]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 68939515{2-[2-(2-Fluoro-4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-yl}-methanolHCID 860740683-Chloro-6-(4-[1,2,3]triazol-1-yl-butyl)-pyridazine

Product 1

HCID 694864393-{2-[2-(2-Fluoro-4-trifluoromethyl-phenyl)-vinyl]-oxazol-4-ylmethoxy}-6-(4-[1,2,3]triazol-1-yl-butyl)-pyridazine

Sources & evidence

ORD record
ord-0a9c8ad41bc44159a905daa1bdbfb604
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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