Acetone → (4-Isopropylphenyl)(2-nitro-5-(prop-2-yn-1-yloxy)phenyl)methanone

HRID 1550969Notes

Reaction equation

HRID 1550969 reaction equation
[CH3:25][C:26](=[O:27])[CH3:28].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]([OH: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>>[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

Participants

3

Reactant 2

HCID 180AcetoneHCID 59259026(4-Isopropyl-phenyl)-(2-nitro-5-propargyloxy-phenyl)-methanol

Product 1

HCID 45480510(4-Isopropylphenyl)(2-nitro-5-(prop-2-yn-1-yloxy)phenyl)methanone

Sources & evidence

ORD record
ord-e156eacfa9874f4db20317e5a42c8d8f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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