Ethanol → HCID 66752711, compound

HRID 1548906Notes

Reaction equation

HRID 1548906 reaction equation
[CH3:1][c:2]1[n:3][c:4]2[n:5]([c:6](=[O:20])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:12][cH:13]1)[cH:21][cH:22][s:23]2.[CH3:40][CH2:41][O-:42].[CH3:43][CH2:44][OH:45].[CH:24]1([CH2:27][O:28][c:29]2[c:30]([CH:31]=[O:32])[cH:33][cH:34][cH:35][c:36]2[O:37][CH3:38])[CH2:25][CH2:26]1.[Na+:39]>>[CH:1]([c:2]1[n:3][c:4]2[n:5]([c:6](=[O:20])[c:7]1-[c:8]1[cH:9][cH:10][c:11]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:12][cH:13]1)[cH:21][cH:22][s:23]2)=[CH:31][c:30]1[c:29]([O:28][CH2:27][CH:24]2[CH2:25][CH2:26]2)[c:36]([O:37][CH3:38])[cH:35][cH:34][cH:33]1

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 1194401-Hydroxyethyl radicalHCID 435604072-(Cyclopropylmethoxy)-3-methoxybenzaldehydeHCID 66753580HCID 66753580, compound

Product 1

HCID 66752711HCID 66752711, compound

Sources & evidence

ORD record
ord-f29921a2c8f247589f6dd9d8a879f939
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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