Ethanol → N-(3-Cyano-4-isobutoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

Reaction equation

[CH3:1][n:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[OH:10])[c:6]1[CH3:7].[CH3:35][CH2:36][OH:37].[NH2:21][c:22]1[cH:23][cH:24][c:25]([O:30][CH2:31][CH:32]([CH3:33])[CH3:34])[c:26]([C:27]#[N:28])[cH:29]1.[OH:11][n:12]1[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[n:19][n:20]1>>[CH3:1][n:2]1[n:3][cH:4][c:5]([C:8](=[O:10])[NH:21][c:22]2[cH:23][cH:24][c:25]([O:30][CH2:31][CH:32]([CH3:33])[CH3:34])[c:26]([C:27]#[N:28])[cH:29]2)[c:6]1[CH3:7]

Participants

Reactant 4

HCID 702Ethanol

HCID 757711-Hydroxybenzotriazole

HCID 12733031,5-Dimethyl-1H-pyrazole-4-carboxylic acid

HCID 193660285-Amino-2-isobutoxybenzonitrile

Product 1

HCID 22227889N-(3-Cyano-4-isobutoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

Sources & evidence

ORD record: ord-582cef9841514651b270f177ad667ee5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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