Heptane → 2-(2-(2-Hydroxypropoxy)propoxy)-1-propanol

HRID 140587

Reaction equation

HRID 140587 reaction equation
[CH3:12][CH:13]([CH2:14][O:15][CH:16]([CH3:17])[CH2:18][O:19][CH:20]([CH3:21])[CH2:22][OH:23])[OH:24].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[O:1]1[CH:2]2[CH2:3][CH:4]([C:8](=[O:9])[O:10][CH3:11])[CH2:5][CH2:6][CH:7]12>>[CH3:12][CH:13]([CH2:14][O:15][CH:16]([CH3:17])[CH2:18][O:19][CH:20]([CH3:21])[CH2:22][OH:23])[OH:24].[O:1]1[CH:2]2[CH2:3][CH:4]([C:8](=[O:9])[OH:10])[CH2:5][CH2:6][CH:7]12

Participants

5

Reactant 3

HCID 8900HeptaneHCID 326112-(2-(2-Hydroxypropoxy)propoxy)-1-propanolHCID 127701647-Oxabicyclo[4.1.0]heptane-3-carboxylic acid, methyl ester

Product 2

HCID 326112-(2-(2-Hydroxypropoxy)propoxy)-1-propanolHCID 126256267-Oxabicyclo(4.1.0)heptane-3-carboxylic acid

Sources & evidence

ORD record
ord-46335fa132384b818e7bda014ee1d481
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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