Sodium ion → 4-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole

HRID 1122707Notes

Reaction equation

HRID 1122707 reaction equation
[CH2:35]([P:36]([O:37][CH2:38][CH3:39])([O:40][CH2:41][CH3:42])=[O:43])[P:44](=[O:45])([O:46][CH2:47][CH3:48])[O:49][CH2:50][CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[H-:57].[Na+:58].[OH2:59].[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:34])[c:9]([CH2:11][O:12][c:13]3[cH:14][cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[O:25])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:34])[c:9]([CH2:11][O:12][c:13]3[cH:14][cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[CH:35][P:36]([O:37][CH2:38][CH3:39])([O:40][CH2:41][CH3:42])=[O:43])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 15455Tetraethyl methylenediphosphonateHCID 166653HydrideHCID 866057793-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzyl)oxy]-1-phenyl-1H-pyrazole-4-carbaldehyde

Product 1

HCID 908335834-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]phenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole

Sources & evidence

ORD record
ord-fddc3ab9613349089ad1c5c8544458e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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