Ammonium → 2-(2,4-Dichlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]hexanoamide

HRID 167225Notes

Reaction equation

[BrH:22].[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]([C:6]#[N:7])([CH2:8][n:9]1[n:10][cH:11][n:12][cH:13]1)[c:14]1[c:15]([Cl:21])[cH:16][c:17]([Cl:20])[cH:18][cH:19]1.[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[ClH:25].[NH4+:23].[OH-:24]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[C:5]([C:6]([NH2:7])=[O:24])([CH2:8][n:9]1[n:10][cH:11][n:12][cH:13]1)[c:14]1[c:15]([Cl:21])[cH:16][c:17]([Cl:20])[cH:18][cH:19]1

Participants

Reactant 6

HCID 223Ammonium

HCID 260Hydrogen Bromide

HCID 313Hydrochloric Acid

HCID 961Hydroxide

HCID 8857Ethyl Acetate

HCID 13069855alpha-n-butyl-alpha-(2,4-dichlorophenyl)-1H-1,2,4-triazole-1-propanenitrile

Product 1

HCID 199569472-(2,4-Dichlorophenyl)-2-[(1,2,4-triazol-1-yl)methyl]hexanoamide

Sources & evidence

ORD record: ord-b848a8ff92a54228af4cf06c1bb8d863
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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