Ethanol → HCID 178491815, compound

HRID 1117751Notes

Reaction equation

HRID 1117751 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:20][O:21][c:22]2[cH:23][cH:24][c:25]([CH:28]([CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:26][cH:27]2)[cH:9][c:10]1-[c:11]1[c:12]([F:19])[cH:13][cH:14][c:15]([O:17][CH3:18])[cH:16]1.[CH3:46][CH2:47][OH:48].[Na+:50].[OH-:49]>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH2:20][O:21][c:22]2[cH:23][cH:24][c:25]([CH:28]([CH2:29][C:30](=[O:31])[OH:32])[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:26][cH:27]2)[cH:9][c:10]1-[c:11]1[c:12]([F:19])[cH:13][cH:14][c:15]([O:17][CH3:18])[cH:16]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 76589010HCID 76589010, compound

Product 1

HCID 178491815HCID 178491815, compound

Sources & evidence

ORD record
ord-832a68083d3541fa81f3b95b18446dc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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