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

HRID 189657Notes

Reaction equation

HRID 189657 reaction equation
[CH3:47][CH:48]([CH3:49])[CH2:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH:11]3[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]3)[c:7](=[O:10])[n:8]2[CH3:9])[cH:17][cH:18]1.[Cl:27][CH2:28][CH2:29][CH2:30][CH:31]([c:32]1[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]1)[c:39]1[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]1.[I-:26].[K+:25].[Na+:19].[Na+:20].[O-:21][C:22](=[O:23])[O-:24].[OH2:46]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6]([CH:11]3[CH2:12][CH2:13][N:14]([CH2:28][CH2:29][CH2:30][CH:31]([c:32]4[cH:33][cH:34][c:35]([F:38])[cH:36][cH:37]4)[c:39]4[cH:40][cH:41][c:42]([F:45])[cH:43][cH:44]4)[CH2:15][CH2:16]3)[c:7](=[O:10])[n:8]2[CH3:9])[cH:17][cH:18]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 214934435-chloro-3-methyl-1-(piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one

Product 1

HCID 215002925-chloro-1-{1-[4,4-bis(4-fluorophenyl)butyl]-4-piperidinyl}-1,3-dihydro-3-methyl-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-bd6384b558a5403dbe95e0f6ad1f6a09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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