Dichloromethane → Trifluoroacetic acid

HRID 1545797Notes

Reaction equation

HRID 1545797 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](-[c:21]3[c:22]([O:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18][c:19]2[CH3:20])[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[Cl:42][CH2:43][Cl:44].[F:35][C:36]([C:37](=[O:38])[OH:39])([F:40])[F:41]>>[F:35][C:36]([C:37](=[O:38])[OH:39])([F:40])[F:41].[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[cH:15][c:16](-[c:21]3[c:22]([O:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:23][cH:24][cH:25][cH:26]3)[cH:17][cH:18][c:19]2[CH3:20])[CH2:12][CH2:13]1

Participants

5

Reactant 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 69242357Tert-butyl 4-[2-methyl-5-[2-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]piperazine-1-carboxylate

Product 2

HCID 6422Trifluoroacetic acidHCID 692459201-[2-Methyl-5-[2-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]piperazine

Sources & evidence

ORD record
ord-5cc569e18d43487c872ce8ecf028e29a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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