Acetic Acid → 2-{[1-(5-chloro-2-hydroxy-benzyl)-piperidin-4-ylmethyl]-amino}-1H-benzimidazole-4-carboxylic acid (2-methoxy-ethyl)-amide

HRID 2325574Notes

Reaction equation

HRID 2325574 reaction equation
[C:35]([O:36][BH-:37]([O:38][C:39](=[O:40])[CH3:41])[O:42][C:43](=[O:44])[CH3:45])(=[O:46])[CH3:47].[C:51]([OH:52])(=[O:53])[CH3:54].[CH3:1][O:2][CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][c:12]2[nH:13][c:14]([NH:17][CH2:18][CH:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[n:15][c:16]12.[CH3:49][OH:50].[CH3:55][S:56]([CH3:57])=[O:58].[Na+:48].[OH:25][c:26]1[c:27]([CH:28]=[O:29])[cH:30][c:31]([Cl:34])[cH:32][cH:33]1>>[CH3:1][O:2][CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][c:12]2[nH:13][c:14]([NH:17][CH2:18][CH:19]3[CH2:20][CH2:21][N:22]([CH2:28][c:27]4[c:26]([OH:25])[cH:33][cH:32][c:31]([Cl:34])[cH:30]4)[CH2:23][CH2:24]3)[n:15][c:16]12

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 887MethanolHCID 923Sodium ionHCID 124815-Chloro-salicylaldehydeHCID 2724942TriacetoxyborohydrideHCID 86610506HCID 86610506, compound

Product 1

HCID 102387442-{[1-(5-chloro-2-hydroxy-benzyl)-piperidin-4-ylmethyl]-amino}-1H-benzimidazole-4-carboxylic acid (2-methoxy-ethyl)-amide

Sources & evidence

ORD record
ord-d0a5122a873446a7864f7fa7a3037a41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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