Hexane → HCID 23114310, compound

HRID 2322631Notes

Reaction equation

HRID 2322631 reaction equation
[C:30]([O:31][CH2:32][CH3:33])(=[O:34])[CH3:35].[CH3:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:10]2([CH3:23])[C:11](=[O:22])[O:12][c:13]3[c:14]2[c:15]([CH3:21])[cH:16][c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:10]([CH2:11][OH:22])([c:14]2[c:13]([OH:12])[c:18]([CH3:19])[c:17]([CH3:20])[cH:16][c:15]2[CH3:21])[CH3:23])[cH:8][cH:9]1

Participants

4

Reactant 3

HCID 8058HexaneHCID 8857Ethyl AcetateHCID 68707505HCID 68707505, compound

Product 1

HCID 23114310HCID 23114310, compound

Sources & evidence

ORD record
ord-5f45c86db66e4e4886cfa623ab1990c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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