Acetone → HCID 20301090, compound

Reaction equation

[CH3:22][NH:23][CH3:24].[CH3:26][CH:27]([OH:28])[CH3:29].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:36][C:37](=[O:38])[CH3:39].[ClH:21].[ClH:25].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]2[O:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[C:16](=[O:18])[CH2:17]2)[cH:19][cH:20]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]2[O:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[C:16](=[O:18])[C:17]2=[CH2:22])[cH:19][cH:20]1

Participants

Reactant 6

HCID 180Acetone

HCID 313Hydrochloric Acid2×

HCID 674Dimethylamine

HCID 3776Isopropanol

HCID 8857Ethyl Acetate

HCID 111498742-(4-Nitrophenyl)-2,3-dihydro-4H-1-benzopyran-4-one

Product 1

HCID 20301090HCID 20301090, compound

Sources & evidence

ORD record: ord-0040d86092814e74a0239e190d3e0346
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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