Acetic Acid → (2-Amino-5-(prop-2-yn-1-yloxy)phenyl)(4-isopropylphenyl)methanone

HRID 1239412Notes

Reaction equation

HRID 1239412 reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[c:12]2[c:13]([N+:22]([O-:23])=[O:24])[cH:14][cH:15][c:16]([O:18][CH2:19][C:20]#[CH:21])[cH:17]2)[cH:8][cH:9]1.[Fe:31].[Na+:26].[OH-:25]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:10](=[O:11])[c:12]2[c:13]([NH2:22])[cH:14][cH:15][c:16]([O:18][CH2:19][C:20]#[CH:21])[cH:17]2)[cH:8][cH:9]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 23925IronHCID 45480510(4-Isopropylphenyl)(2-nitro-5-(prop-2-yn-1-yloxy)phenyl)methanone

Product 1

HCID 45139628(2-Amino-5-(prop-2-yn-1-yloxy)phenyl)(4-isopropylphenyl)methanone

Sources & evidence

ORD record
ord-c166e74fa6d24b51b542f002c623fcba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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