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

HRID 1131519Notes

Reaction equation

HRID 1131519 reaction equation
[CH2:35]([P:36](=[O:37])([O:38][CH2:39][CH3:40])[O:41][CH2:42][CH3:43])[P:44]([O:45][CH2:46][CH3:47])([O:48][CH2:49][CH3:50])=[O: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]([CH2:19][O:20][c:21]4[n:22][n:23](-[c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[cH:24][c:25]4[CH:26]=[O:27])[cH:17][n:18]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]([CH2:19][O:20][c:21]4[n:22][n:23](-[c:28]5[cH:29][cH:30][cH:31][cH:32][cH:33]5)[cH:24][c:25]4[CH:26]=[CH:35][P:44]([O:45][CH2:46][CH3:47])([O:48][CH2:49][CH3:50])=[O:51])[cH:17][n:18]3)[n:10]2)[cH:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 15455Tetraethyl methylenediphosphonateHCID 166653HydrideHCID 866058153-[(6-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}pyridin-3-yl)methoxy]-1-phenyl-1H-pyrazole-4-carbaldehyde

Product 1

HCID 912343564-[[5-[[4-(2-Diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-pyridinyl]oxymethyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole

Sources & evidence

ORD record
ord-02db3f8911874b699b694cb2f7992092
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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