Methanol → 2-(1,2-Epoxy-1,5-dimethyl-4-hexenyl)-3-methoxy-1-phenylthiomethyl-1,4-cyclohexanediol

HRID 114569Notes

Reaction equation

HRID 114569 reaction equation
[CH3:1][OH:2].[CH:12]1([C:23]2([CH3:24])[O:25][CH:26]2[CH2:27][CH:28]=[C:29]([CH3:30])[CH3:31])[CH:13]([O:14][CH3:15])[CH:16]([OH:17])[CH2:18][CH2:19][C:20]12[CH2:21][O:22]2.[H-:3].[Na+:4].[OH2:32].[SH:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>>[S:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:21][C:20]1([OH:22])[CH:12]([C:23]2([CH3:24])[O:25][CH:26]2[CH2:27][CH:28]=[C:29]([CH3:30])[CH3:31])[CH:13]([O:14][CH3:15])[CH:16]([OH:17])[CH2:18][CH2:19]1

Participants

7

Reactant 6

HCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 7969ThiophenolHCID 166653HydrideHCID 2190894-(1,5-Dimethyl-1,2-epoxy-4-hexenyl)-5-methoxy-1-oxaspiro(2.5)octan-6-ol

Product 1

HCID 198010622-(1,2-Epoxy-1,5-dimethyl-4-hexenyl)-3-methoxy-1-phenylthiomethyl-1,4-cyclohexanediol

Sources & evidence

ORD record
ord-8ab78b9f6c854018a4f0296f079bbf4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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