Benzene → HCID 86586364, compound

HRID 1537119Notes

Reaction equation

HRID 1537119 reaction equation
[C:1]([CH2:2][CH2:3][CH2:4][CH3:5])(=[O:6])[c:7]1[c:8]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:9][c:10]([CH:11]=[O:12])[cH:13][c:14]1[C:15]([CH3:16])([CH3:17])[CH3:18].[C:23]([CH3:24])([CH3:25])([CH3:26])[NH:27][OH:28].[c:29]1([CH3:30])[cH:31][cH:32][c:33]([S:34]([OH:35])(=[O:36])=[O:37])[cH:38][cH:39]1.[cH:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[C:1]([CH2:2][CH2:3][CH2:4][CH3:5])(=[O:6])[c:7]1[c:8]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:9][c:10]([CH:11]=[N+:27]([C:23]([CH3:24])([CH3:25])[CH3:26])[O-:28])[cH:13][c:14]1[C:15]([CH3:16])([CH3:17])[CH3:18]

Participants

5

Reactant 4

HCID 241BenzeneHCID 6101p-Toluenesulfonic acidHCID 98586N-tert-butylhydroxylamineHCID 15550539HCID 15550539, compound

Product 1

HCID 86586364HCID 86586364, compound

Sources & evidence

ORD record
ord-d666f119878143dcb0ec427fcbaa42fa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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