Potassium Cation → 8-[3-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one

HRID 2340829Notes

Reaction equation

HRID 2340829 reaction equation
[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[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-:39].[K+:38].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH2:40].[c:15]1([N:21]2[CH2:22][NH:23][C:24](=[O:31])[C:25]23[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]3)[cH:16][cH:17][cH:18][cH:19][cH:20]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)[N:28]1[CH2:27][CH2:26][C:25]2([N:21]([c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[CH2:22][NH:23][C:24]2=[O:31])[CH2:30][CH2:29]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 705561-Phenyl-1,3,8-triazaspiro(4.5)decan-4-oneHCID 18104191-(3-chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

Product 1

HCID 203855688-[3-(1,3-dihydro-2-oxo-2H-benzimidazol-1-yl)propyl]-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one

Sources & evidence

ORD record
ord-88d7f49abaff412790bae65719d93cb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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