Acetic Acid → p-Tolunitrile

HRID 150363Notes

Reaction equation

HRID 150363 reaction equation
[CH3:20][c:21]1[cH:22][cH:23][c:24]([CH:25]=[N:26][OH:27])[cH:28][cH:29]1.[CH3:30][c:31]1[cH:32][cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38]1.[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][c:44]1[cH:45][cH:46][c:47]([CH3:48])[cH:49][cH:50]1.[N:1]([O:2][C:3]([CH3:4])([CH3:5])[CH3:6])=[O:7].[OH:8][N:9]1[C:10](=[O:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[C:18]1=[O:19]>>[CH3:20][c:21]1[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:28][cH:29]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 77254-MethylbenzaldehydeHCID 7809P-XyleneHCID 10665N-HydroxyphthalimideHCID 10906Tert-Butyl nitriteHCID 19475HCID 19475, compound

Product 1

HCID 7724p-Tolunitrile

Sources & evidence

ORD record
ord-5a22e8599a744ce3b209936534e52ed6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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