Tetrahydrofuran → [2-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-2-oxo-ethyl]-phosphonic acid dimethyl ester

Reaction equation

[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[CH3:1][O:2][P:3]([O:4][CH3:5])(=[O:6])[CH3:7].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH3:8][O:9][C:10](=[O:11])[c:12]1[cH:13][n:14][n:15](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:16]1[CH3:17]>>[CH3:1][O:2][P:3]([O:4][CH3:5])(=[O:6])[CH2:7][C:10](=[O:9])[c:12]1[cH:13][n:14][n:15](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:16]1[CH3:17]

Participants

Reactant 4

HCID 8028Tetrahydrofuran

HCID 8058Hexane

HCID 12958Dimethyl methylphosphonate

HCID 827526Methyl 5-methyl-1-phenylpyrazole-4-carboxylate

Product 1

HCID 86609911[2-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)-2-oxo-ethyl]-phosphonic acid dimethyl ester

Sources & evidence

ORD record: ord-4c06d4a56006496ea6f79169bd57243a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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