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

HRID 190325Notes

Reaction equation

HRID 190325 reaction equation
[CH2:1]([CH3:2])[n:3]1[n:4][c:5]([O:10][CH2:11][c:12]2[cH:13][c:14]([O:31][CH3:32])[c:15]([O:18][CH2:19][c:20]3[n:21][c:22](-[c:26]4[o:27][cH:28][cH:29][cH:30]4)[o:23][c:24]3[CH3:25])[cH:16][cH:17]2)[c:6]([CH:8]=[O:9])[cH:7]1.[CH2:33]([P:34](=[O:35])([O:36][CH2:37][CH3:38])[O:39][CH2:40][CH3:41])[P:42]([O:43][CH2:44][CH3:45])([O:46][CH2:47][CH3:48])=[O:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[H-:55].[Na+:56].[OH2:57]>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5]([O:10][CH2:11][c:12]2[cH:13][c:14]([O:31][CH3:32])[c:15]([O:18][CH2:19][c:20]3[n:21][c:22](-[c:26]4[o:27][cH:28][cH:29][cH:30]4)[o:23][c:24]3[CH3:25])[cH:16][cH:17]2)[c:6]([CH:8]=[CH:33][P:42]([O:43][CH2:44][CH3:45])([O:46][CH2:47][CH3:48])=[O:49])[cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 15455Tetraethyl methylenediphosphonateHCID 166653HydrideHCID 866058211-ethyl-3-[(4-{[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-3-methoxybenzyl)oxy]-1H-pyrazole-4-carbaldehyde

Product 1

HCID 916173884-[[4-[[4-(2-Diethoxyphosphorylethenyl)-1-ethylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-2-(furan-2-yl)-5-methyl-1,3-oxazole

Sources & evidence

ORD record
ord-1d7d5c237f56472c9553333e815fe39e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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