Bromide ion → 2-[[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylthio]-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole

HRID 1552211Notes

Reaction equation

HRID 1552211 reaction equation
[Br-:37].[CH3:20][c:21]1[c:22]([CH2:33][Cl:34])[n:23][cH:24][cH:25][c:26]1[O:27][CH2:28][C:29]([F:30])([F:31])[F:32].[CH3:39][CH2:40][OH:41].[ClH:19].[F:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:4][c:5]2[c:6]([nH:7][c:8]([SH:10])[n:9]2)[cH:11]1.[K+:38].[Na+:36].[OH-:35]>>[F:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([CH3:18])[CH2:16][CH2:17]2)[cH:4][c:5]2[c:6]([nH:7][c:8]([S:10][CH2:33][c:22]3[c:21]([CH3:20])[c:26]([O:27][CH2:28][C:29]([F:30])([F:31])[F:32])[cH:25][cH:24][n:23]3)[n:9]2)[cH:11]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 961HydroxideHCID 6890802-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridineHCID 178480613HCID 178480613, compound

Product 1

HCID 187927622-[[3-Methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylthio]-6-fluoro-5-(4-methylpiperazin-1-yl)-1H-benzimidazole

Sources & evidence

ORD record
ord-5585f2392bb942bcb89ab4f33f20ba29
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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