Imidazole → Trifluoroacetic acid

HRID 1570451Notes

Reaction equation

HRID 1570451 reaction equation
[CH3:31][N:32]1[CH2:33][CH2:34][CH2:35][C:36]1=[O:37].[Cl:1][c:2]1[c:3]2[n:4]([n:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:15](=[O:18])[nH:16][n:17]2.[F:24][C:25]([C:26](=[O:27])[OH:28])([F:29])[F:30].[nH:19]1[cH:20][n:21][cH:22][cH:23]1>>[F:24][C:25]([C:26](=[O:27])[OH:28])([F:29])[F:30].[c:2]1(-[n:19]2[cH:20][n:21][cH:22][cH:23]2)[c:3]2[n:4]([n:5][cH:6][c:7]1-[c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1)[c:15](=[O:18])[nH:16][n:17]2

Participants

6

Reactant 4

HCID 795ImidazoleHCID 6422Trifluoroacetic acidHCID 13387N-methyl-2-pyrrolidoneHCID 597166868-chloro-7-(4-chlorophenyl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Product 2

HCID 6422Trifluoroacetic acidHCID 597166747-(4-chlorophenyl)-8-imidazol-1-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Sources & evidence

ORD record
ord-108ffa94a22d467e89387c827c18f1f6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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