Acetic Acid → (4-Tert-butyl-benzyl)-[2-(2-chloro-pyridin-4-yl)-ethyl]-amine

HRID 319811Notes

Reaction equation

HRID 319811 reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[c:14]1[cH:15][cH:16][c:17]([CH2:18][NH2:19])[cH:20][cH:21]1.[C:26]([BH3-:27])#[N:28].[CH3:22][C:23](=[O:24])[OH:25].[CH3:30][CH2:31][OH:32].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8]#[CH:9])[cH:7]1.[Na+:29].[Na+:34].[OH-:33]>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([CH2:8][CH2:9][NH:19][CH2:18][c:17]2[cH:16][cH:15][c:14]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:21][cH:20]2)[cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ion2×HCID 961HydroxideHCID 498716Cyano-borohydrideHCID 27356554-tert-ButylbenzylamineHCID 234368312-Chloro-4-ethynylpyridine

Product 1

HCID 86613990(4-Tert-butyl-benzyl)-[2-(2-chloro-pyridin-4-yl)-ethyl]-amine

Sources & evidence

ORD record
ord-17423fa1a60649ccbb5cf58d50dd545f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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