Sodium ion → 2-(1,2,4-Triazol-1-yl)-3-phenyl-4'-chlorobutyrophenone

HRID 211388

Reaction equation

HRID 211388 reaction equation
[CH3:18][CH:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[Cl:26].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[H-:16].[Na+:17].[OH2:27].[n:1]1([CH2:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([Cl:15])[cH:13][cH:14]2)[n:2][cH:3][n:4][cH:5]1>>[n:1]1([CH:6]([C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([Cl:15])[cH:13][cH:14]2)[CH:19]([CH3:18])[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[n:2][cH:3][n:4][cH:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 12648(1-Chloroethyl)benzeneHCID 166653HydrideHCID 7164721-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

Product 1

HCID 213260662-(1,2,4-Triazol-1-yl)-3-phenyl-4'-chlorobutyrophenone

Sources & evidence

ORD record
ord-8d7a884e6363425a857d8bcc2f3c6615
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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