Isopropanol → Benzenamine, 3-ethynyl-

HRID 196900Notes

Reaction equation

HRID 196900 reaction equation
[CH:12]([OH:13])([CH3:14])[CH3:15].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][c:6]([C:10]#[CH:11])[cH:7][cH:8][cH:9]1>>[NH2:1][c:4]1[cH:5][c:6]([C:10]#[CH:11])[cH:7][cH:8][cH:9]1

Participants

3

Reactant 2

HCID 3776IsopropanolHCID 76432Benzene, 1-ethynyl-3-nitro-

Product 1

HCID 104682Benzenamine, 3-ethynyl-

Sources & evidence

ORD record
ord-2bc59fbb5a6b465cadd3d7fc224157d0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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