Sodium ion → Ethyl 5-[4-[[4-[[4-(2-diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]furan-2-carboxylate

HRID 140973

Reaction equation

HRID 140973 reaction equation
[CH2:42]([P:43](=[O:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50])[P:51]([O:52][CH2:53][CH3:54])([O:55][CH2:56][CH3:57])=[O:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:1](=[O:2])[c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:40][CH3:41])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[o:32]4)[o:25][c:26]3[CH3:27])[cH:38][cH:39]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[H-:64].[Na+:65].[OH2:66]>>[CH:1]([c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:40][CH3:41])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[o:32]4)[o:25][c:26]3[CH3:27])[cH:38][cH:39]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1)=[CH:42][P:51]([O:52][CH2:53][CH3:54])([O:55][CH2:56][CH3:57])=[O:58]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 15455Tetraethyl methylenediphosphonateHCID 166653HydrideHCID 86605877ethyl 5-{4-[(4-{[(4-formyl-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}-2-methoxyphenoxy)methyl]-5-methyl-1,3-oxazol-2-yl}-2-furancarboxylate

Product 1

HCID 90790101Ethyl 5-[4-[[4-[[4-(2-diethoxyphosphorylethenyl)-1-phenylpyrazol-3-yl]oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-oxazol-2-yl]furan-2-carboxylate

Sources & evidence

ORD record
ord-8ba3fb49d8ec4f3fa9fae55360b7be6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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