Ethanol → HCID 18472317, compound

HRID 99830Notes

Reaction equation

HRID 99830 reaction equation
[CH2:30]([OH:31])[CH3:32].[CH3:1][c:2]1[cH:3][c:4](-[c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:22]2)[CH:12]=[C:13]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[CH2:14][CH2:15][O:16]3)[s:5][cH:6]1.[Na+:24].[O:25]1[CH2:26][CH2:27][CH2:28][CH2:29]1.[OH-:23]>>[CH3:1][c:2]1[cH:3][c:4](-[c:7]2[cH:8][cH:9][c:10]3[c:11]([cH:22]2)[CH:12]=[C:13]([C:17](=[O:18])[OH:19])[CH2:14][CH2:15][O:16]3)[s:5][cH:6]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 70162030Ethyl 7-(4-methylthiophen-2-yl)-2,3-dihydro-1-benzoxepine-4-carboxylate

Product 1

HCID 18472317HCID 18472317, compound

Sources & evidence

ORD record
ord-ce879079cf3b474aae7561fc7d3a70e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…