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

HRID 114093Notes

Reaction equation

HRID 114093 reaction equation
[CH3:37][CH:38]([CH3:39])[CH2:40][C:41](=[O:42])[CH3:43].[Cl:14][c:15]1[cH:16][c:17]2[c:18]([n:19]([CH:23]3[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]3)[c:20](=[O:22])[nH:21]2)[cH:29][cH:30]1.[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[cH:6][n:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:44]>>[CH2:2]([CH2:3][CH2:4][n:5]1[cH:6][n:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:26]1[CH2:25][CH2:24][CH:23]([n:19]2[c:18]3[c:17]([cH:16][c:15]([Cl:14])[cH:30][cH:29]3)[nH:21][c:20]2=[O:22])[CH2:28][CH2:27]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 1046075-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-oneHCID 131055171-(3-Chloropropyl)-1H-benzimidazole

Product 1

HCID 203855791-{1-[3-(1H-benzimidazol-1-yl)propyl]-4-piperidinyl}-5-chloro-1,3-dihydro-2H-benzimidazol-2-one

Sources & evidence

ORD record
ord-1ce53f0a2c8c4facb71b7a57d2e46b5e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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