Acetone → HCID 178432890, compound

HRID 702727Notes

Reaction equation

HRID 702727 reaction equation
[CH3:1][C:2](=[CH:3][CH3:4])[CH3:5].[CH3:40][C:41]([CH3:42])=[O:43].[Cl+:34]([O-:35])[O-:36].[Cl:12][c:13]1[n:14][cH:15][c:16]([O:20][CH2:21][C:22]2([c:27]3[cH:28][c:29]([F:33])[cH:30][cH:31][cH:32]3)[CH:23]([CH:25]=[O:26])[CH2:24]2)[c:17]([CH3:19])[n:18]1.[Na+:11].[Na+:37].[OH2:38].[OH2:39].[P:6]([O-:7])([OH:8])([OH:9])=[O:10]>>[Cl:12][c:13]1[n:14][cH:15][c:16]([O:20][CH2:21][C:22]2([c:27]3[cH:28][c:29]([F:33])[cH:30][cH:31][cH:32]3)[CH:23]([C:25](=[O:26])[OH:35])[CH2:24]2)[c:17]([CH3:19])[n:18]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 923Sodium ion2×HCID 962Water2×HCID 1003DihydrogenphosphateHCID 105532-Methyl-2-buteneHCID 197148ChloriteHCID 178432888HCID 178432888, compound

Product 1

HCID 178432890HCID 178432890, compound

Sources & evidence

ORD record
ord-10d25f18bbde4770b2d39a6b18e04097
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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