Sodium ion → 2-(4-Fluoro-2-methoxy-phenyl)-5-(5-methoxymethyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazole

HRID 671271

Reaction equation

HRID 671271 reaction equation
[Br:27][N:28]1[C:31](=[O:34])[CH2:30][CH2:29][C:32]1=[O:33].[C:50]([Cl:51])([Cl:52])([Cl:53])[Cl:54].[CH3:47][O-:48].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[F:1][c:2]1[cH:3][c:4]([O:25][CH3:26])[c:5](-[c:8]2[o:9][c:10](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:15][o:16][c:17]3[CH3:18])[n:11][n:12]2)[cH:6][cH:7]1.[N:35]([C:36]([CH3:37])([CH3:38])[C:39]#[N:40])=[N:41][C:42]([CH3:43])([CH3:44])[C:45]#[N:46].[Na+:49]>>[F:1][c:2]1[cH:3][c:4]([O:25][CH3:26])[c:5](-[c:8]2[o:9][c:10](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:15][o:16][c:17]3[CH2:18][O:33][CH3:32])[n:11][n:12]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 5943Carbon TetrachlorideHCID 6547AzobisisobutyronitrileHCID 8857Ethyl AcetateHCID 67184N-bromobutanimideHCID 3826051MethoxideHCID 167226452-(4-Fluoro-2-methoxy-phenyl)-5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazole

Product 1

HCID 167230582-(4-Fluoro-2-methoxy-phenyl)-5-(5-methoxymethyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazole

Sources & evidence

ORD record
ord-b578f0f0405941dc98bec26473d0d1f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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