Hydrochloric Acid → Hydrochloric Acid

HRID 119128Notes

Reaction equation

HRID 119128 reaction equation
[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[Cl:36][CH2:37][Cl:38].[ClH:35].[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[cH:11][c:12]([N:22]3[CH2:23][CH2:24][N:25]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:26][CH2:27]3)[cH:13][cH:14][c:15]2[C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:35].[c:1]1([CH:7]([CH3:8])[NH:9][c:10]2[cH:11][c:12]([N:22]3[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]3)[cH:13][cH:14][c:15]2[C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 3283Diethyl EtherHCID 6344DichloromethaneHCID 58707346t-Butyl 4-(3-(1-phenylethylamino)-4-(2,2,2-trifluoroacetyl) phenyl)piperazine-1-carboxylate

Product 2

HCID 313Hydrochloric AcidHCID 116965122,2,2-Trifluoro-1-[2-(1-phenylethylamino)-4-piperazin-1-ylphenyl]ethanone

Sources & evidence

ORD record
ord-1a1a4f48afb641758dfcd67dac423cca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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