Ethanol → HCID 66752697, compound

HRID 1573474Notes

Reaction equation

HRID 1573474 reaction equation
[CH3:1][c:2]1[n:3][c:4]2[n:5]([CH3:27])[c:6]3[c:7]([n:8]2[c:9](=[O:22])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]1)[cH:23][cH:24][cH:25][cH:26]3.[CH3:44][CH2:45][O-:46].[CH3:47][CH2:48][OH:49].[CH:28]1([CH2:31][O:32][c:33]2[c:34]([CH:35]=[O:36])[cH:37][cH:38][cH:39][c:40]2[O:41][CH3:42])[CH2:29][CH2:30]1.[Na+:43]>>[CH:1]([c:2]1[n:3][c:4]2[n:5]([CH3:27])[c:6]3[c:7]([n:8]2[c:9](=[O:22])[c:10]1-[c:11]1[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]1)[cH:23][cH:24][cH:25][cH:26]3)=[CH:35][c:34]1[c:33]([O:32][CH2:31][CH:28]2[CH2:29][CH2:30]2)[c:40]([O:41][CH3:42])[cH:39][cH:38][cH:37]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 1194401-Hydroxyethyl radicalHCID 435604072-(Cyclopropylmethoxy)-3-methoxybenzaldehydeHCID 66753238HCID 66753238, compound

Product 1

HCID 66752697HCID 66752697, compound

Sources & evidence

ORD record
ord-d2a8402645c24f95b41f71a6279bf8fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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