Ethanol → MDL 27266

HRID 701707Notes

Reaction equation

HRID 701707 reaction equation
[CH2:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[CH3:18][I:19].[CH3:20][CH2:21][OH:22].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][CH3:15])[c:10](=[O:13])[nH:11][n:12]2)[cH:6][cH:7]1.[Na+:17].[OH-:16]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:14][CH3:15])[c:10](=[O:13])[n:11]([CH3:20])[n:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 6328Methyl iodideHCID 8078CyclohexaneHCID 357933H-1,2,4-Triazol-3-one, 5-(4-chlorophenyl)-4-ethyl-2,4-dihydro-

Product 1

HCID 60655MDL 27266

Sources & evidence

ORD record
ord-55e5a81185e842ad9e87712df93adcd9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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