Acetone → 3-Acetylamino-4-methoxy-6-(4-nitrobenzoyl)-phenylacetone

HRID 1209040Notes

Reaction equation

HRID 1209040 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]2[c:12]([cH:13][c:14]1[O:15][CH3:16])[CH:11]([c:17]1[cH:18][cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]1)[O:10][CH:9]([CH3:26])[CH2:8]2.[CH3:28][C:29](=[O:30])[CH3:31].[OH2:27].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][c:7]([CH2:8][C:9]([CH3:26])=[O:27])[c:12]([C:11](=[O:10])[c:17]2[cH:18][cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]2)[cH:13][c:14]1[O:15][CH3:16]

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 1118Sulfuric AcidHCID 224889656-Acetylamino-3-methyl-1-(4-nitrophenyl)-7-methoxyisochroman

Product 1

HCID 697343163-Acetylamino-4-methoxy-6-(4-nitrobenzoyl)-phenylacetone

Sources & evidence

ORD record
ord-25af7b52992544ff88fa9f54a863e8c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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