Hydrochloric Acid → Heptanoic acid [2-(4-nitro-phenyl)-ethyl]-amide

HRID 160262

Reaction equation

HRID 160262 reaction equation
[CH2:47]([Cl:48])[Cl:49].[CH3:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19]([OH:20])=[O:21].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[ClH:1].[N+:22](=[O:23])([O-:24])[c:25]1[cH:26][cH:27][c:28]([CH2:29][CH2:30][NH2:31])[cH:32][cH:33]1>>[CH3:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:21])[NH:31][CH2:30][CH2:29][c:28]1[cH:27][cH:26][c:25]([N+:22](=[O:23])[O-:24])[cH:33][cH:32]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8094Heptanoic AcidHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 951534-Nitrophenethylamine

Product 1

HCID 86586370Heptanoic acid [2-(4-nitro-phenyl)-ethyl]-amide

Sources & evidence

ORD record
ord-77cc6d6aaabd4b6fad7cc1d5aaf35610
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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