Triethylamine → 2-Ethoxy-5-(4-ethyl-1-piperazinylsulfonyl)benzonitrile

HRID 2142161Notes

Reaction equation

HRID 2142161 reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6]#[N:7])[cH:8][cH:9][cH:10][cH:11]1.[CH2:28]([CH3:29])[N:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[Cl:12][S:13](=[O:14])(=[O:15])[OH:16].[S:17]([Cl:18])([Cl:19])=[O:20]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6]#[N:7])[cH:8][c:9]([S:13](=[O:14])(=[O:16])[N:33]2[CH2:32][CH2:31][N:30]([CH2:28][CH3:29])[CH2:35][CH2:34]2)[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 24638Chlorosulfonic acidHCID 791961-EthylpiperazineHCID 5769222-Ethoxybenzonitrile

Product 1

HCID 99670112-Ethoxy-5-(4-ethyl-1-piperazinylsulfonyl)benzonitrile

Sources & evidence

ORD record
ord-273cce8e36e14e6ba96a00aeefa866a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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