Acetone → 9-Valeryloxyacetyl-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydronaphthacene-5,12-dione

HRID 307612

Reaction equation

HRID 307612 reaction equation
[Br:1][CH2:2][C:3](=[O:4])[C:5]1([OH:27])[CH2:6][CH2:7][c:8]2[c:9]([OH:26])[c:10]3[c:19]([c:20]([OH:23])[c:21]2[CH2:22]1)[C:18](=[O:24])[c:17]1[c:12]([cH:13][cH:14][cH:15][cH:16]1)[C:11]3=[O:25].[C:28]([CH2:29][CH2:30][CH2:31][CH3:32])(=[O:33])[O-:34].[CH3:36][C:37](=[O:38])[CH3:39].[Na+:35]>>[CH2:2]([C:3](=[O:4])[C:5]1([OH:27])[CH2:6][CH2:7][c:8]2[c:9]([OH:26])[c:10]3[c:19]([c:20]([OH:23])[c:21]2[CH2:22]1)[C:18](=[O:24])[c:17]1[c:12]([cH:13][cH:14][cH:15][cH:16]1)[C:11]3=[O:25])[O:34][C:28]([CH2:29][CH2:30][CH2:31][CH3:32])=[O:33]

Participants

5

Reactant 4

HCID 180AcetoneHCID 923Sodium ionHCID 114781ValerateHCID 131462669-Bromoacetyl-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydronaphthacene-5,12-dione

Product 1

HCID 132929939-Valeryloxyacetyl-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydronaphthacene-5,12-dione

Sources & evidence

ORD record
ord-c4ad534c6cc54f1db0ee1725ab2ff253
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…