Acetaldehyde → 4-amino-5-chloro-N-((1-(5-(N-ethyl-N-(4-nitrobenzyl)amino)pentyl)-piperidin-4-yl)methyl)-2-methoxybenzamide

HRID 99860

Reaction equation

HRID 99860 reaction equation
[C:40]([BH3-:41])#[N:42].[CH:37]([CH3:38])=[O:39].[NH2:1][c:2]1[cH:3][c:4]([O:35][CH3:36])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][NH:21][CH2:22][c:23]3[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]3)[CH2:14][CH2:15]2)[cH:32][c:33]1[Cl:34].[Na+:43]>>[NH2:1][c:2]1[cH:3][c:4]([O:35][CH3:36])[c:5]([C:6](=[O:7])[NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]([CH2:22][c:23]3[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]3)[CH2:37][CH3:38])[CH2:14][CH2:15]2)[cH:32][c:33]1[Cl:34]

Participants

5

Reactant 4

HCID 177AcetaldehydeHCID 923Sodium ionHCID 498716Cyano-borohydrideHCID 544488654-Amino-5-chloro-2-methoxy-N-((1-(5-(4-nitrobenzylamino)pentyl)-piperidin-4-yl)methyl)benzamide

Product 1

HCID 538952864-amino-5-chloro-N-((1-(5-(N-ethyl-N-(4-nitrobenzyl)amino)pentyl)-piperidin-4-yl)methyl)-2-methoxybenzamide

Sources & evidence

ORD record
ord-d9a0635e973649fa9a22965c6cf54540
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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