Dimethyl Sulfide → 9-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

HRID 1237350Notes

Reaction equation

HRID 1237350 reaction equation
[CH3:31][S:32][CH3:33].[CH3:34][S:35](=[O:36])(=[O:37])[OH:38].[CH:1]12[CH2:2][O:3][C:4](=[O:5])[CH:6]1[CH:7]([c:8]1[cH:9][c:10]([O:11][CH3:12])[c:13]([O:14][CH3:15])[c:16]([O:17][CH3:18])[cH:19]1)[c:20]1[cH:21][c:22]3[c:26]([cH:27][c:28]1[CH:29]2[OH:30])[O:25][CH2:24][O:23]3.[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[CH:1]12[CH2:2][O:3][C:4](=[O:5])[CH:6]1[CH:7]([c:8]1[cH:9][c:10]([O:11][CH3:12])[c:13]([OH:14])[c:16]([O:17][CH3:18])[cH:19]1)[c:20]1[cH:21][c:22]3[c:26]([cH:27][c:28]1[CH:29]2[OH:30])[O:25][CH2:24][O:23]3

Participants

5

Reactant 4

HCID 1068Dimethyl SulfideHCID 4865(5R,5aS,8aR,9R)-5,8,8a,9-Tetrahydro-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-oneHCID 6395Methanesulfonic AcidHCID 6422Trifluoroacetic acid

Product 1

HCID 5001819-Hydroxy-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one

Sources & evidence

ORD record
ord-e0a7a5aae3fe4766aee5c55f4ab4f9be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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