Ethanol → HCID 13983121, compound

HRID 150376Notes

Reaction equation

HRID 150376 reaction equation
[CH3:41][CH2:42][OH:43].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([NH:18][CH:19]3[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][n:27]4[c:28](=[S:38])[nH:29][c:30]5[c:31]([c:32]4=[O:33])[cH:34][c:35]([CH3:37])[s:36]5)[CH2:23][CH2:24]3)[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1.[K+:40].[OH-:39].[OH2:46].[OH:44][OH:45]>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][n:9]2[c:10]([NH:18][CH:19]3[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][n:27]4[c:28](=[O:43])[nH:29][c:30]5[c:31]([c:32]4=[O:33])[cH:34][c:35]([CH3:37])[s:36]5)[CH2:23][CH2:24]3)[n:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 784Hydrogen PeroxideHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 13983120HCID 13983120, compound

Product 1

HCID 13983121HCID 13983121, compound

Sources & evidence

ORD record
ord-0ecd276a11554346a729f2b1124fbcb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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