Ethanol → 2-Methyl-2-(4,8,12-trimethyltridecyl)oxirane

HRID 1235084Notes

Reaction equation

HRID 1235084 reaction equation
[CH3:1][C:2]([CH2:3][O:4][S:5]([c:6]1[cH:7][cH:8][c:9]([CH3:10])[cH:11][cH:12]1)(=[O:13])=[O:14])([CH2:15][CH2:16][CH2:17][CH:18]([CH2:19][CH2:20][CH2:21][CH:22]([CH2:23][CH2:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH3:29])[CH3:30])[OH:31].[CH3:35][CH2:36][OH:37].[Na+:33].[OH-:32].[OH2:34]>>[CH3:1][C:2]1([CH2:15][CH2:16][CH2:17][CH:18]([CH2:19][CH2:20][CH2:21][CH:22]([CH2:23][CH2:24][CH2:25][CH:26]([CH3:27])[CH3:28])[CH3:29])[CH3:30])[CH2:3][O:31]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178427738(2-hydroxy-2,6,10,14-tetramethylpentadecyl) 4-methylbenzenesulfonate

Product 1

HCID 128109942-Methyl-2-(4,8,12-trimethyltridecyl)oxirane

Sources & evidence

ORD record
ord-999d9951a3e6473685c9d6d300ebcc89
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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