Trifluoroacetic acid → 4-Bromo-2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-6-trifluoromethyl-1H-benzoimidazole

HRID 2348194Notes

Reaction equation

HRID 2348194 reaction equation
[Br:21][c:22]1[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[cH:25][c:26]2[nH:27][c:28]([Cl:31])[n:29][c:30]12.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:8][c:9]1[c:10]([N:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[n:11][cH:12][n:13][cH:14]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[Cl:8][c:9]1[c:10]([N:15]2[CH2:16][CH2:17][N:18]([c:28]3[nH:27][c:26]4[cH:25][c:24]([C:32]([F:33])([F:34])[F:35])[cH:23][c:22]([Br:21])[c:30]4[n:29]3)[CH2:19][CH2:20]2)[n:11][cH:12][n:13][cH:14]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 115574765-Chloro-4-(piperazin-1-yl)pyrimidineHCID 115945854-bromo-2-chloro-6-trifluoromethyl-1H-benzoimidazole

Product 1

HCID 578351624-Bromo-2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-6-trifluoromethyl-1H-benzoimidazole

Sources & evidence

ORD record
ord-58761f736fa04eb3abc7f8386286bcf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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