Acetone → HCID 178497555, compound

HRID 110160Notes

Reaction equation

HRID 110160 reaction equation
[CH3:12][c:13]1[n:14][cH:15][c:16]([O:20][CH2:21][C:22]2([c:27]3[cH:28][c:29]([F:37])[c:30]([O:33][CH2:34][O:35][CH3:36])[cH:31][cH:32]3)[CH:23]([CH:25]=[O:26])[CH2:24]2)[c:17]([CH3:19])[n:18]1.[CH3:1][C:2](=[CH:3][CH3:4])[CH3:5].[CH3:44][C:45]([CH3:46])=[O:47].[Cl+:38]([O-:39])[O-:40].[Na+:11].[Na+:41].[OH2:42].[OH2:43].[P:6]([O-:7])([OH:8])([OH:9])=[O:10]>>[CH3:12][c:13]1[n:14][cH:15][c:16]([O:20][CH2:21][C:22]2([c:27]3[cH:28][c:29]([F:37])[c:30]([O:33][CH2:34][O:35][CH3:36])[cH:31][cH:32]3)[CH:23]([C:25](=[O:26])[OH:39])[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 178497553HCID 178497553, compound

Product 1

HCID 178497555HCID 178497555, compound

Sources & evidence

ORD record
ord-5409b900c52f47f7b63e58879751b285
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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