Hydrochloric Acid → 3-{3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl}-1,3-dihydro-5-methyl-1-(1-methylethenyl)-2H-benzimidazol-2-one

HRID 2318278Notes

Reaction equation

HRID 2318278 reaction equation
[CH3:44][CH:45]([CH3:46])[CH2:47][C:48](=[O:49])[CH3:50].[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:18])[n:7]([C:15](=[CH2:16])[CH3:17])[c:8]2[c:9]1[cH:10][c:11]([CH3:14])[cH:12][cH:13]2.[ClH:19].[F:20][c:21]1[cH:22][cH:23][c:24]([C:27](=[O:28])[CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:25][cH:26]1.[I-:42].[K+:41].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:43]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:18])[n:7]([C:15](=[CH2:16])[CH3:17])[c:8]2[c:9]1[cH:10][c:11]([CH3:14])[cH:12][cH:13]2)[N:32]1[CH2:31][CH2:30][CH:29]([C:27]([c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)=[O:28])[CH2:34][CH2:33]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27244404-(4-Fluorobenzoyl)piperidineHCID 205063153-(3-chloropropyl)-1,3-dihydro-5-methyl-1-(1-methylethenyl)-2H-benzimidazol-2-one

Product 1

HCID 214248083-{3-[4-(4-fluorobenzoyl)-1-piperidinyl]propyl}-1,3-dihydro-5-methyl-1-(1-methylethenyl)-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-5ebbcbc068b8481b8273871205c45180
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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