Sodium ion → 5-[[(4-Chlorophenyl)sulfonyl][1,2-diphenyl-1H-benzimidazol-5-yl]amino]pentanoic acid methyl ester

HRID 210284

Reaction equation

HRID 210284 reaction equation
[CH3:35][O:36][C:37]([CH2:38][CH2:39][CH2:40][CH2:41][Br:42])=[O:43].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[NH:11][c:12]2[cH:13][c:14]3[c:15]([n:16](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[c:17](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:18]3)[cH:31][cH:32]2)[cH:6][cH:7]1.[H-:33].[Na+:34].[OH2:44]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([c:12]2[cH:13][c:14]3[c:15]([n:16](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[c:17](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:18]3)[cH:31][cH:32]2)[CH2:41][CH2:40][CH2:39][CH2:38][C:37]([O:36][CH3:35])=[O:43])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 79557Methyl 5-bromovalerateHCID 166653HydrideHCID 219380284-Chloro-N-(1,2-diphenyl-1H-benzimidazol-5-yl)benzenesulfonamide

Product 1

HCID 673657515-[[(4-Chlorophenyl)sulfonyl][1,2-diphenyl-1H-benzimidazol-5-yl]amino]pentanoic acid methyl ester

Sources & evidence

ORD record
ord-c28410ac882e4f6c839088300687488e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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