Ethanol → HCID 12044739, compound

HRID 2319412Notes

Reaction equation

HRID 2319412 reaction equation
[CH3:31][CH2:32][OH:33].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([C:16]#[C:17][c:18]2[cH:19][cH:20][c:21]([CH2:24][C:25](=[O:26])[O:27][CH3:28])[cH:22][cH:23]2)[cH:7][cH:8][c:9]1[CH2:10][O:11][C:12]1([CH3:15])[CH2:13][CH2:14]1.[Na+:30].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH-:29]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([C:16]#[C:17][c:18]2[cH:19][cH:20][c:21]([CH2:24][C:25](=[O:26])[OH:27])[cH:22][cH:23]2)[cH:7][cH:8][c:9]1[CH2:10][O:11][C:12]1([CH3:15])[CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 86585939Methyl{4-[3-isopropyl-4-(1-methyl-cyclopropoxymethyl)-phenylethynyl)-phenyl}-acetate

Product 1

HCID 12044739HCID 12044739, compound

Sources & evidence

ORD record
ord-c134efb380e54fb589a36b717d7a7580
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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