Hydrochloric Acid → Hydrochloric Acid

HRID 206559Notes

Reaction equation

HRID 206559 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[CH2:13][N:14]1[CH2:15][CH2:16][N:17]([CH:20]([c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[CH2:18][CH2:19]1)([CH3:5])([CH3:6])[CH3:35].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[CH3:50][CH:51]([CH2:52][C:53]([CH3:54])([CH3:55])[CH3:56])[CH3:57].[Cl:58][CH2:59][Cl:60].[ClH:43].[OH:36][C:37]([C:38]([F:39])([F:40])[F:41])=[O:42]>>[ClH:43].[NH2:7][CH:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[CH2:13][N:14]1[CH2:15][CH2:16][N:17]([CH:20]([c:21]2[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]2)[c:28]2[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]2)[CH2:18][CH2:19]1

Participants

8

Reactant 6

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 109072,2,4-TrimethylpentaneHCID 23388434tert-butyl N-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methylpentan-2-yl]carbamate

Product 2

HCID 313Hydrochloric AcidHCID 233883981-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]-4-methylpentan-2-amine

Sources & evidence

ORD record
ord-a3db6aa919d64e70a119ba4fbce825bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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