Acetone → HCID 12149034, compound

HRID 158495Notes

Reaction equation

HRID 158495 reaction equation
[CH3:21][C:22](=[O:23])[CH3:24].[CH:17]([CH3:18])([CH3:19])[OH:20].[N+:1](=[O:2])([O-:3])[c:4]1[c:5](-[c:10]2[c:11]([CH:15]=[O:16])[s:12][cH:13][cH:14]2)[cH:6][cH:7][cH:8][cH:9]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5](-[c:10]2[c:11]([C:15](=[O:16])[OH:20])[s:12][cH:13][cH:14]2)[cH:6][cH:7][cH:8][cH:9]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 3776IsopropanolHCID 818845HCID 818845, compound

Product 1

HCID 12149034HCID 12149034, compound

Sources & evidence

ORD record
ord-3c954528def9485ea862fd0b84f6ea2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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