Potassium Cation → 5-bromo-1-{1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one

HRID 182198Notes

Reaction equation

HRID 182198 reaction equation
[Br:20][c:21]1[cH:22][c:23]2[c:24]([n:25]([CH:29]3[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]3)[c:26](=[O:28])[nH:27]2)[cH:35][cH:36]1.[CH3:46][CH:47]([CH3:48])[CH2:49][C:50](=[O:51])[CH3:52].[Cl:1][CH2:2][CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([F:12])[cH:10][cH:11]1)[c:13]1[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]1.[I-:44].[K+:43].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH2:45]>>[CH2:2]([CH2:3][CH2:4][CH:5]([c:6]1[cH:7][cH:8][c:9]([F:12])[cH:10][cH:11]1)[c:13]1[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]1)[N:32]1[CH2:31][CH2:30][CH:29]([n:25]2[c:24]3[c:23]([cH:22][c:21]([Br:20])[cH:36][cH:35]3)[nH:27][c:26]2=[O:28])[CH2:34][CH2:33]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 768201,1'-(4-Chlorobutylidene)bis(4-fluorobenzene)HCID 137920985-bromo-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one

Product 1

HCID 215002755-bromo-1-{1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl}-1,3-dihydro-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-c2f3fa29e8ee42eeaaa8d7276aa98f98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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