Sodium ion → Trifluoroacetic acid

HRID 2348235Notes

Reaction equation

HRID 2348235 reaction equation
[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:45]([CH3:46])([CH3:47])[Br:48].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[H-:43].[Na+:44].[OH:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[n:14]([CH2:27][CH2:28][CH2:29][CH:30]3[CH2:31][CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]3)[c:15]([CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[n:16][c:17]12>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:8]([c:9]1[cH:10][cH:11][cH:12][c:13]2[n:14]([CH2:27][CH2:28][CH2:29][CH:30]3[CH2:31][CH2:32][N:33]([C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42])[CH2:34][CH2:35]3)[c:15]([CH2:18][O:19][c:20]3[cH:21][cH:22][c:23]([Cl:26])[cH:24][cH:25]3)[n:16][c:17]12)[CH:45]([CH3:46])[CH3:47]

Participants

8

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 63582-BromopropaneHCID 6422Trifluoroacetic acidHCID 166653HydrideHCID 211887714-Hydroxy-2-[(4-chlorophenoxy)methyl]-1-[3-[1-(t-butoxycarbonyl)piperidin-4-yl]propyl]benzimidazole

Product 2

HCID 6422Trifluoroacetic acidHCID 21188657Tert-butyl 4-[3-[2-[(4-chlorophenoxy)methyl]-4-propan-2-yloxybenzimidazol-1-yl]propyl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-5fe8efae902041debca4bf19aaffd77e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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