Benzene → Hydrochloric Acid

HRID 99035Notes

Reaction equation

HRID 99035 reaction equation
[CH3:18][c:19]1[cH:20][cH:21][c:22]([C:24](=[O:25])[Cl:26])[o:23]1.[c:1]1([CH2:7][CH2:8][CH2:9][N:10]2[CH:11]([CH3:17])[CH2:12][NH:13][CH:14]([CH3:16])[CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[cH:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[ClH:26].[c:1]1([CH2:7][CH2:8][CH2:9][N:10]2[CH:11]([CH3:17])[CH2:12][N:13]([C:24]([c:22]3[cH:21][cH:20][c:19]([CH3:18])[o:23]3)=[O:25])[CH:14]([CH3:16])[CH2:15]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 3

HCID 241BenzeneHCID 27598515-Methylfuran-2-carbonyl chlorideHCID 214191082,5-Dimethyl-1-(3-phenylpropyl)piperazine

Product 2

HCID 313Hydrochloric AcidHCID 21530258[2,5-Dimethyl-4-(3-phenylpropyl)piperazin-1-yl]-(5-methylfuran-2-yl)methanone

Sources & evidence

ORD record
ord-a6b3d66bb2da44e8b8d6ed6bf76ce27c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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