Methane → 3,4-Diaminobenzonitrile

HRID 1204947Notes

Reaction equation

HRID 1204947 reaction equation
[C:16].[CH3:13][CH2:14][OH:15].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([C:11]#[N:12])[cH:10]1.[Pd:17]>>[NH2:1][c:4]1[c:5]([NH2:6])[cH:7][cH:8][c:9]([C:11]#[N:12])[cH:10]1

Participants

5

Reactant 4

HCID 297MethaneHCID 702EthanolHCID 23938PalladiumHCID 5959014-Amino-3-nitrobenzonitrile

Product 1

HCID 7372853,4-Diaminobenzonitrile

Sources & evidence

ORD record
ord-66b2ba3343a34f42bd86b33fa176c417
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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