Potassium Cation → 6-chloro-1,3-dihydro-1-{3-[4-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)-1-piperidinyl]propyl}-2H-benzimidazol-2-one

HRID 1239288Notes

Reaction equation

HRID 1239288 reaction equation
[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:11][CH2:12][CH2:13][Cl:14])[c:8](=[O:10])[nH:9]2)[cH:15]1.[I-:39].[K+:38].[NH:16]1[CH2:17][CH2:18][CH:19]([n:22]2[c:23](=[O:31])[nH:24][c:25]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)[CH2:20][CH2:21]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7]([CH2:11][CH2:12][CH2:13][N:16]3[CH2:17][CH2:18][CH:19]([n:22]4[c:23](=[O:31])[nH:24][c:25]5[c:26]4[cH:27][cH:28][cH:29][cH:30]5)[CH2:20][CH2:21]3)[c:8](=[O:10])[nH:9]2)[cH:15]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 886381,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 203855876-chloro-1-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 203856126-chloro-1,3-dihydro-1-{3-[4-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)-1-piperidinyl]propyl}-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-44b1273d99014d8ebe952a6a2cde0a1e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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