Ethanol → HCID 66752994, compound

HRID 1555415Notes

Reaction equation

HRID 1555415 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.[CH3:40][CH2:41][O-:42].[CH3:43][CH2:44][OH:45].[CH:23]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])[CH2:24][CH2:25][CH2:26]1.[Na+:39]>>[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:31][c:30]1[c:29]([O:28][CH2:27][CH:23]2[CH2:24][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 65459423HCID 65459423, compoundHCID 66753265HCID 66753265, compound

Product 1

HCID 66752994HCID 66752994, compound

Sources & evidence

ORD record
ord-30ff950522be46b08959fa8d94eb3240
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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