Acetate → 2-Hydroxy4,4-dimethyl-gamma-butyrolactone

HRID 296698

Reaction equation

[C:1]([O:2][CH2:3][CH3:4])(=[O:5])[CH:6]=[CH2:7].[C:33]([O-:34])(=[O:35])[CH3:36].[C:38]([O-:39])(=[O:40])[CH3:41].[CH3:42][C:43]#[N:44].[CH3:45][CH:46]([OH:47])[CH3:48].[Co+2:37].[O:20].[OH:21][CH:22]([C:23]([O:25][CH2:24][CH3:26])=[O:27])[CH2:28][C:29]([CH3:30])([CH3:31])[OH:32].[OH:8][N:9]1[C:10](=[O:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[C:18]1=[O:19]>>[OH:21][CH:22]1[C:23](=[O:25])[O:32][C:29]([CH3:30])([CH3:31])[CH2:28]1

Participants

Reactant 8

HCID 175Acetate2×

HCID 962Water

HCID 3776Isopropanol

HCID 6342Acetonitrile

HCID 8821Ethyl Acrylate

HCID 10665N-Hydroxyphthalimide

HCID 104729Cobalt(2+)

HCID 11378808Ethyl 2,4-dihydroxy-4-methylpentanoate

Product 1

HCID 101977032-Hydroxy4,4-dimethyl-gamma-butyrolactone

Sources & evidence

ORD record: ord-ac8320771df343faa1704fb9c7556f58
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Linked notes

Loading…