Potassium Cation → 1-[3-{4-[bis(4-fluorophenyl)methyl]-1-piperazinyl}-2-methylpropyl]-1,3-dihydro-3-(1-methylethenyl)-2H-benzimidazol-2-one

HRID 93337Notes

Reaction equation

HRID 93337 reaction equation
[CH3:49][CH:50]([CH3:51])[CH2:52][C:53](=[O:54])[CH3:55].[Cl:1][CH2:2][CH:3]([CH2:4][n:5]1[c:6](=[O:17])[n:7]([C:14](=[CH2:15])[CH3:16])[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[CH3:18].[F:19][c:20]1[cH:21][cH:22][c:23]([CH:26]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[c:33]2[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]2)[cH:24][cH:25]1.[I-:47].[K+:46].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[OH2:48]>>[CH2:2]([CH:3]([CH2:4][n:5]1[c:6](=[O:17])[n:7]([C:14](=[CH2:15])[CH3:16])[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[CH3:18])[N:30]1[CH2:29][CH2:28][N:27]([CH:26]([c:23]2[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]2)[c:33]2[cH:34][cH:35][c:36]([F:39])[cH:37][cH:38]2)[CH2:32][CH2:31]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 1529321-(Bis(4-fluorophenyl)methyl)piperazineHCID 205062821-(3-chloro-2-methylpropyl)-1,3-dihydro-3-(1-methylethenyl)-2H-benzimidazol-2-one

Product 1

HCID 205063081-[3-{4-[bis(4-fluorophenyl)methyl]-1-piperazinyl}-2-methylpropyl]-1,3-dihydro-3-(1-methylethenyl)-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-fc0c5cab88554315a4faef8d39326137
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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