Ethanol → HCID 66753122, compound

HRID 685943Notes

Reaction equation

HRID 685943 reaction equation
[CH3:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:19])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([O:14][C:15]([F:16])([F:17])[F:18])[cH:12][cH:13]1)[cH:20][cH:21][s:22]2.[CH3:42][CH2:43][O-:44].[CH3:45][CH2:46][OH:47].[CH:23]1([CH2:29][O:30][c:31]2[c:32]([CH:33]=[O:34])[cH:35][cH:36][cH:37][c:38]2[O:39][CH3:40])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[Na+:41]>>[CH:1]([c:2]1[n:3][c:4]2[n:5]([c:6](=[O:19])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([O:14][C:15]([F:16])([F:17])[F:18])[cH:12][cH:13]1)[cH:20][cH:21][s:22]2)=[CH:33][c:32]1[c:31]([O:30][CH2:29][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:38]([O:39][CH3:40])[cH:37][cH:36][cH:35]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 1194401-Hydroxyethyl radicalHCID 43471351HCID 43471351, compoundHCID 66753265HCID 66753265, compound

Product 1

HCID 66753122HCID 66753122, compound

Sources & evidence

ORD record
ord-5cb0758575824bf993f7c6edc255677e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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