Hydrogen Bromide → 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinebutanenitrile

HRID 2339813Notes

Reaction equation

HRID 2339813 reaction equation
[BrH:7].[BrH:8].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:1][CH2:2][CH2:3][CH2:4][C:5]#[N:6].[F:9][c:10]1[cH:11][cH:12][c:13]([CH2:16][n:17]2[c:18]([NH:26][CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:19][c:20]3[c:21]2[cH:22][cH:23][cH:24][cH:25]3)[cH:14][cH:15]1.[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38]>>[CH2:2]([CH2:3][CH2:4][C:5]#[N:6])[N:30]1[CH2:29][CH2:28][CH:27]([NH:26][c:18]2[n:17]([CH2:16][c:13]3[cH:12][cH:11][c:10]([F:9])[cH:15][cH:14]3)[c:21]3[c:20]([n:19]2)[cH:25][cH:24][cH:23][cH:22]3)[CH2:32][CH2:31]1

Participants

7

Reactant 6

HCID 260Hydrogen Bromide2×HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 123364-ChlorobutyronitrileHCID 19660Carbonate IonHCID 123618Tecastemizole

Product 1

HCID 135880094-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinebutanenitrile

Sources & evidence

ORD record
ord-3c006f9b474b49ee95054028dd670985
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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