Acetic Acid → 7-(4-(2-(5-Acetylpyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide

HRID 1543389

Reaction equation

HRID 1543389 reaction equation
[CH2:36]([OH:37])[CH2:38][CH3:39].[CH3:1][N:2]([C:3](=[O:4])[c:5]1[o:6][c:7]2[c:8]([cH:9]1)[cH:10][cH:11][cH:12][c:13]2[N:14]1[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1)[CH3:20].[CH3:32][C:33](=[O:34])[OH:35].[CH:21](=[CH2:22])[c:23]1[cH:24][cH:25][c:26]([C:29]([CH3:30])=[O:31])[cH:27][n:28]1.[OH2:40]>>[CH3:1][N:2]([C:3](=[O:4])[c:5]1[o:6][c:7]2[c:8]([cH:9]1)[cH:10][cH:11][cH:12][c:13]2[N:14]1[CH2:15][CH2:16][N:17]([CH2:22][CH2:21][c:23]2[cH:24][cH:25][c:26]([C:29]([CH3:30])=[O:31])[cH:27][n:28]2)[CH2:18][CH2:19]1)[CH3:20]

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 962WaterHCID 10311-PropanolHCID 596367201-(6-Vinylpyridin-3-YL)ethanoneHCID 59636743N,N-dimethyl-7-(piperazin-1-yl)benzofuran-2-carboxamide

Product 1

HCID 596367537-(4-(2-(5-Acetylpyridin-2-yl)ethyl)piperazin-1-yl)-N,N-dimethylbenzofuran-2-carboxamide

Sources & evidence

ORD record
ord-65063b42c9ad4d239871be9169587221
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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