Toluene → 2-Ethylhexyl syringate

HRID 687880Notes

Reaction equation

HRID 687880 reaction equation
[C:10]([c:11]1[cH:12][c:13]([O:14][CH3:15])[c:16]([OH:17])[c:18]([O:19][CH3:20])[cH:21]1)(=[O:22])[OH:23].[CH2:1]([CH3:2])[CH:3]([CH2:4][OH:5])[CH2:6][CH2:7][CH2:8][CH3:9].[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH2:1]([CH3:2])[CH:3]([CH2:4][O:5][C:10]([c:11]1[cH:12][c:13]([O:14][CH3:15])[c:16]([OH:17])[c:18]([O:19][CH3:20])[cH:21]1)=[O:22])[CH2:6][CH2:7][CH2:8][CH3:9]

Participants

5

Reactant 4

HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 77202-EthylhexanolHCID 10742Syringic Acid

Product 1

HCID 1805932-Ethylhexyl syringate

Sources & evidence

ORD record
ord-c9552757f9dc4bb6a02fa5352315027d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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