Benzene → HCID 86586362, compound

HRID 1235108Notes

Reaction equation

HRID 1235108 reaction equation
[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[c:6]1[c:7]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:8][c:9]([CH:10]=[O:11])[cH:12][c:13]1[C:14]([CH3:15])([CH3:16])[CH3:17].[C:22]([CH3:23])([CH3:24])([CH3:25])[NH:26][OH:27].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[c:6]1[c:7]([C:18]([CH3:19])([CH3:20])[CH3:21])[cH:8][c:9]([CH:10]=[N+:26]([C:22]([CH3:23])([CH3:24])[CH3:25])[O-:27])[cH:12][c:13]1[C:14]([CH3:15])([CH3:16])[CH3:17]

Participants

5

Reactant 4

HCID 241BenzeneHCID 6101p-Toluenesulfonic acidHCID 98586N-tert-butylhydroxylamineHCID 15550534HCID 15550534, compound

Product 1

HCID 86586362HCID 86586362, compound

Sources & evidence

ORD record
ord-a63833d038424dffbbff616e98514398
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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