Acetone → HCID 178504471, compound

HRID 1208131Notes

Reaction equation

HRID 1208131 reaction equation
[CH3:26][C:27]1([CH3:36])[N:28]([O:29])[C:30]([CH3:31])([CH3:32])[CH2:33][CH2:34][CH2:35]1.[CH3:49][C:50](=[O:51])[CH3:52].[CH3:53][CH:54]([OH:55])[CH3:56].[Cl:37][n:38]1[c:39](=[O:40])[n:41]([Cl:42])[c:43](=[O:44])[n:45]([Cl:46])[c:47]1=[O:48].[N+:6](=[O:7])([O-:8])[c:9]1[c:10]([CH2:24][OH:25])[cH:11][cH:12][cH:13][c:14]1[CH:15]([O:16][SiH:17]([CH3:18])[CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23].[Na+:5].[O-:1][C:2](=[O:3])[OH:4]>>[O:1]=[C:2]([OH:4])[c:10]1[c:9]([N+:6](=[O:7])[O-:8])[c:14]([CH:15]([O:16][SiH:17]([CH3:18])[CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23])[cH:13][cH:12][cH:11]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3776IsopropanolHCID 6909Trichloroisocyanuric AcidHCID 5499762,2,6,6-Tetramethylpiperidin-1-olHCID 178504468HCID 178504468, compound

Product 1

HCID 178504471HCID 178504471, compound

Sources & evidence

ORD record
ord-32b355caedaf4fb7bf6054743c88cbca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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