Acetone → N-tert-Butyl-a-phenylnitrone

HRID 2348610

Reaction equation

HRID 2348610 reaction equation
[C:26](=[O:27])([OH:28])[O-:29].[C:34]([CH3:35])([CH3:36])([CH3:37])[N:38]1[O:39][CH:40]1[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[C:9]([NH2:10])([CH3:11])([CH3:12])[CH3:13].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:55][C:56](=[O:57])[CH3:58].[CH:14](=[N:15][C:16]([CH3:17])([CH3:18])[CH3:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)=[O:8].[Na+:30].[O:31]=[C:32]=[O:33].[OH2:54]>>[C:34]([CH3:35])([CH3:36])([CH3:37])[N+:38]([O-:39])=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1

Participants

11

Reactant 10

HCID 180AcetoneHCID 240BenzaldehydeHCID 280Carbon DioxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 6385Tert-ButylamineHCID 983712-(1,1-Dimethylethyl)-3-phenyloxaziridineHCID 1112402-Methyl-N-(phenylmethylene)-2-propanamine

Product 1

HCID 4390N-tert-Butyl-a-phenylnitrone

Sources & evidence

ORD record
ord-6d4cf389805c49d8a25a21428602758f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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