Ethanol → HCID 66753070, compound

HRID 1134990Notes

Reaction equation

HRID 1134990 reaction equation
[CH3:1][c:2]1[n:3][c:4]2[s:5][c:6]3[c:7]([n:8]2[c:9](=[O:21])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]1)[cH:22][cH:23][cH:24][cH:25]3.[CH3:42][CH2:43][O-:44].[CH3:45][CH2:46][OH:47].[CH:26]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])[CH2:27][CH2:28]1.[Na+:41]>>[CH:1]([c:2]1[n:3][c:4]2[s:5][c:6]3[c:7]([n:8]2[c:9](=[O:21])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]1)[cH:22][cH:23][cH:24][cH:25]3)=[CH:33][c:32]1[c:31]([O:30][CH2:29][CH:26]2[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 435604072-(Cyclopropylmethoxy)-3-methoxybenzaldehydeHCID 66753266HCID 66753266, compound

Product 1

HCID 66753070HCID 66753070, compound

Sources & evidence

ORD record
ord-53264133bf494ee6af7748bf69e53528
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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