Chloride → Afloqualone

HRID 2314959Notes

Reaction equation

HRID 2314959 reaction equation
[C:26](=[O:27])([OH:28])[O-:29].[CH3:31][OH:32].[CH:34]([OH:35])([CH3:36])[CH3:37].[CH:38]([Cl:39])([Cl:40])[Cl:41].[Cl-:24].[ClH:33].[F:1][CH2:2][c:3]1[n:4][c:5]2[cH:6][cH:7][c:8]([N+:21]([O-:22])=[O:23])[cH:9][c:10]2[c:11](=[O:20])[n:12]1-[c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1.[Na+:30].[OH2:25]>>[F:1][CH2:2][c:3]1[n:4][c:5]2[cH:6][cH:7][c:8]([NH2:21])[cH:9][c:10]2[c:11](=[O:20])[n:12]1-[c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 962WaterHCID 3776IsopropanolHCID 6212ChloroformHCID 637924(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-

Product 1

HCID 2040Afloqualone

Sources & evidence

ORD record
ord-7407a25fb7af4d9ea0fa5b6adeffc769
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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