Sodium ion → 1-{3-[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]propyl}-1,3-dihydro-5-methyl-3-(1-methylethenyl)-2H-benzimidazol-2-one

HRID 286166Notes

Reaction equation

HRID 286166 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:18])[n:7]([C:15](=[CH2:16])[CH3:17])[c:8]2[c:9]1[cH:10][cH:11][c:12]([CH3:14])[cH:13]2.[NH:19]1[CH2:20][CH2:21][CH:22]([n:25]2[c:26](=[O:34])[nH:27][c:28]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[CH2:23][CH2:24]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:48]>>[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][cH:11][c:12]([CH3:14])[cH:13]2)[N:19]1[CH2:20][CH2:21][CH:22]([n:25]2[c:26](=[O:34])[nH:27][c:28]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[CH2:23][CH2:24]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 886381,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 131056221-(3-chloropropyl)-1,3-dihydro-5-methyl-3-(1-methylethenyl)-2H-benzimidazol-2-one

Product 1

HCID 203855441-{3-[4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]propyl}-1,3-dihydro-5-methyl-3-(1-methylethenyl)-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-9fe189ec0a894d03b1b06c06dae03aea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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