Potassium Cation → 1-[3-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl}propyl]-1,3-dihydro-2H-benzimidazol-2-one

HRID 2148107Notes

Reaction equation

HRID 2148107 reaction equation
[CH3:42][CH:43]([CH3:44])[CH2:45][C:46](=[O:47])[CH3:48].[Cl:15][c:16]1[c:17]([C:29]([F:30])([F:31])[F:32])[cH:18][c:19]([C:22]2([OH:28])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:20][cH:21]1.[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:14])[nH:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[I-:40].[K+:39].[Na+:33].[Na+:34].[O-:35][C:36](=[O:37])[O-:38].[OH2:41]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:14])[nH:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:25]1[CH2:24][CH2:23][C:22]([c:19]2[cH:18][c:17]([C:29]([F:30])([F:31])[F:32])[c:16]([Cl:15])[cH:21][cH:20]2)([OH:28])[CH2:27][CH2:26]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 891074-(4-Chloro-3-(trifluoromethyl)phenyl)piperidin-4-olHCID 18104191-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 203855641-[3-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl}propyl]-1,3-dihydro-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-a136192ec79c434e9138baa4ca7e9463
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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