Bicarbonate Ion → 2-Benzyl-1-(2,4-dichlorobenzyl)-5-ethoxycarbonylbenzimidazole

HRID 153810Notes

Reaction equation

HRID 153810 reaction equation
[C:16](=[O:17])([OH:18])[O-:19].[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[c:28]1[nH:29][c:30]2[c:31]([n:32]1)[cH:33][cH:34][c:35]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:36]2.[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:6][c:7]1[c:8]([CH2:9][Br:10])[cH:11][cH:12][c:13]([Cl:15])[cH:14]1.[Na+:20].[OH2:42]>>[Cl:6][c:7]1[c:8]([CH2:9][n:32]2[c:28]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[n:29][c:30]3[c:31]2[cH:33][cH:34][c:35]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[cH:36]3)[cH:11][cH:12][c:13]([Cl:15])[cH:14]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 102213332-Benzyl-5-ethoxycarbonylbenzimidazoleHCID 109883732,4-Dichlorobenzyl bromide

Product 1

HCID 183154272-Benzyl-1-(2,4-dichlorobenzyl)-5-ethoxycarbonylbenzimidazole

Sources & evidence

ORD record
ord-d6639b8a508b4a4899295146ec7d971d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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