Benzene → HCID 178449927, compound

HRID 1129091Notes

Reaction equation

HRID 1129091 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[NH:16][OH:17].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[OH:1][c:2]1[c:3]([CH:4]=[O:5])[c:6]([OH:11])[cH:7][c:8]([OH:10])[cH:9]1.[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28]1.[cH:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[OH:1][c:2]1[c:3]([CH:4]=[N+:16]([C:12]([CH3:13])([CH3:14])[CH3:15])[O-:17])[c:6]([OH:11])[cH:7][c:8]([OH:10])[cH:9]1

Participants

6

Reactant 5

HCID 241BenzeneHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 68099Benzaldehyde, 2,4,6-trihydroxy-HCID 98586N-tert-butylhydroxylamine

Product 1

HCID 178449927HCID 178449927, compound

Sources & evidence

ORD record
ord-a02e3f46c67442ca8efb5e8ce33a78ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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