Ethanol → HCID 10270892, compound

HRID 94096Notes

Reaction equation

HRID 94096 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]1([c:7]2[c:8]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:9][c:10]([C:13]#[C:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:19][cH:20]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1.[CH3:33][C:34]#[N:35].[CH3:36][CH2:37][OH:38].[Na+:31].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:30].[OH2:32]>>[CH2:1]([CH3:2])[O:3][C:4]1([c:7]2[c:8]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:9][c:10]([C:13]#[C:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[OH:24])[cH:19][cH:20]3)[cH:11][cH:12]2)[CH2:5][CH2:6]1

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6342AcetonitrileHCID 8028TetrahydrofuranHCID 86585930Methyl{4-[4-(1-ethoxycyclopropyl)-3-tert-butyl-phenylethynyl]-phenyl}-acetate

Product 1

HCID 10270892HCID 10270892, compound

Sources & evidence

ORD record
ord-80cc694932314888b5dabcc4dd846932
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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