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

HRID 1233526Notes

Reaction equation

HRID 1233526 reaction equation
[BrH:6].[BrH:7].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[Cl:1][CH2:2][C:3]([CH3:4])=[O:5].[F:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][n:16]2[c:17]([NH:25][CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[n:18][c:19]3[c:20]2[cH:21][cH:22][cH:23][cH:24]3)[cH:13][cH:14]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37]>>[CH2:2]([C:3]([CH3:4])=[O:5])[N:29]1[CH2:28][CH2:27][CH:26]([NH:25][c:17]2[n:16]([CH2:15][c:12]3[cH:11][cH:10][c:9]([F:8])[cH:14][cH:13]3)[c:20]3[c:19]([n:18]2)[cH:24][cH:23][cH:22][cH:21]3)[CH2:31][CH2:30]1

Participants

7

Reactant 6

HCID 260Hydrogen Bromide2×HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 6571ChloroacetoneHCID 19660Carbonate IonHCID 123618Tecastemizole

Product 1

HCID 135880761-[4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinyl]-2-propanone

Sources & evidence

ORD record
ord-44001c5f9be74b28aefa2fe50221cd2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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