Sodium ion → 4-[2-[4-[3-(4-Hydroxy-3-methylphenyl)pentan-3-yl]-2-methylphenyl]ethenyl]oxan-4-ol

HRID 104252Notes

Reaction equation

HRID 104252 reaction equation
[CH2:15]([CH3:16])[C:17]([CH2:18][CH3:19])([c:20]1[cH:21][c:22]([CH3:27])[c:23]([OH:26])[cH:24][cH:25]1)[c:28]1[cH:29][c:30]([CH3:43])[c:31]([C:34]#[C:35][C:36]2([OH:42])[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)[cH:32][cH:33]1.[CH3:2][O:3][CH2:4][CH2:5][O:6][Al+:7][O:8][CH2:9][CH2:10][O:11][CH3:12].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[H-:14].[H-:1].[Na+:13].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1>>[CH2:15]([CH3:16])[C:17]([CH2:18][CH3:19])([c:20]1[cH:21][c:22]([CH3:27])[c:23]([OH:26])[cH:24][cH:25]1)[c:28]1[cH:29][c:30]([CH3:43])[c:31]([CH:34]=[CH:35][C:36]2([OH:42])[CH2:37][CH2:38][O:39][CH2:40][CH2:41]2)[cH:32][cH:33]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653Hydride2×HCID 18764105Bis(2-methoxyethoxy)alumanyliumHCID 577089754-{4-[1-Ethyl-1-(4-hydroxy-3-methyl-phenyl)-propyl]-2-methyl-phenylethynyl}-tetrahydro-pyran-4-ol

Product 1

HCID 670651674-[2-[4-[3-(4-Hydroxy-3-methylphenyl)pentan-3-yl]-2-methylphenyl]ethenyl]oxan-4-ol

Sources & evidence

ORD record
ord-b5cd3d734b0f4367a380d34cb47bbac4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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