Ethanol → HCID 10154781, compound

HRID 145002Notes

Reaction equation

HRID 145002 reaction equation
[CH3:30][CH2:31][OH:32].[CH:1]([CH3:2])([CH3:3])[O:4][C:5]1([c:8]2[c:9]([CH3:27])[cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([CH2:22][C:23](=[O:24])[O:25][CH3:26])[cH:20][cH:21]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1.[Na+:29].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:28]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]1([c:8]2[c:9]([CH3:27])[cH:10][c:11]([C:14]#[C:15][c:16]3[cH:17][cH:18][c:19]([CH2:22][C:23](=[O:24])[OH:25])[cH:20][cH:21]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 86585925Methyl{4-[4-(1-isopropoxycyclopropyl)-3-methyl-phenylethynyl]-phenyl}-acetate

Product 1

HCID 10154781HCID 10154781, compound

Sources & evidence

ORD record
ord-57d2bcd81fcf432da0a16ab9c68d8e84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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