Ethanol → HCID 66777847, compound

HRID 680937Notes

Reaction equation

HRID 680937 reaction equation
[CH2:38]([OH:39])[CH3:40].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:47][CH2:48][OH:49].[CH:1]1([CH:6]([c:7]2[o:8][c:9]3[c:10]([c:11]2[CH3:12])[cH:13][c:14]([F:17])[cH:15][cH:16]3)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:25](=[O:26])[N:27]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH3:35])[cH:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Na+:37].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:36]>>[CH:1]1([CH:6]([c:7]2[o:8][c:9]3[c:10]([c:11]2[CH3:12])[cH:13][c:14]([F:17])[cH:15][cH:16]3)[NH:18][c:19]2[cH:20][cH:21][c:22]([C:25](=[O:26])[N:27]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[CH3:35])[cH:23][cH:24]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 702Ethanol2×HCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 8058HexaneHCID 66777646HCID 66777646, compound

Product 1

HCID 66777847HCID 66777847, compound

Sources & evidence

ORD record
ord-7baca4054a484b198ea38d140d927205
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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