Ammonium → [5-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-3-methyl-pent-3-enyl]-phosphonic acid diethyl ester

HRID 1546055Notes

Reaction equation

HRID 1546055 reaction equation
[Br:15][CH2:16][C:17](=[CH:18][CH2:19][c:20]1[c:21]([O:32][CH3:33])[c:22]([CH3:31])[c:23]2[c:27]([c:28]1[OH:29])[C:26](=[O:30])[O:25][CH2:24]2)[CH3:34].[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:6][P:7]([O:8][CH2:9][CH3:10])([O:11][CH2:12][CH3:13])=[O:14].[Cl-:35].[ClH:37].[Cu:43][I:44].[NH4+:36]>>[CH2:6]([P:7]([O:8][CH2:9][CH3:10])([O:11][CH2:12][CH3:13])=[O:14])[CH2:16][C:17](=[CH:18][CH2:19][c:20]1[c:21]([O:32][CH3:33])[c:22]([CH3:31])[c:23]2[c:27]([c:28]1[OH:29])[C:26](=[O:30])[O:25][CH2:24]2)[CH3:34]

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 12685Diethyl methylphosphonateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 670104826-(4-bromo-3-methyl-but-2-enyl)-7-hydroxy-5-methoxy-4-methyl-3H-isobenzofuran-1-oneHCID 178418339Butyllithium

Product 1

HCID 76548183[5-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-3-methyl-pent-3-enyl]-phosphonic acid diethyl ester

Sources & evidence

ORD record
ord-15cefba1651c49b68a6b59e67b525894
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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