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Sodium Ion → 1-(4-Chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one

HRID 2333840
Notes
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Reaction equation

HRID 2333840 reaction equation
[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[CH3:3][C:4]([CH3:5])([C:6]([CH2:7][n:8]1[n:9][cH:10][n:11][cH:12]1)=[O:13])[CH3:14].[Cl:15][c:16]1[cH:17][cH:18][c:19]([CH2:20][Br:21])[cH:22][cH:23]1.[H-:1].[Na+:2].[OH2:24]>>[CH3:3][C:4]([CH3:5])([C:6]([CH:7]([n:8]1[n:9][cH:10][n:11][cH:12]1)[CH2:20][c:19]1[cH:18][cH:17][c:16]([Cl:15])[cH:23][cH:22]1)=[O:13])[CH3:14]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 693291-(Bromomethyl)-4-chlorobenzeneHCID 1008773,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanoneHCID 166653Hydride

Product 1

HCID 129255611-(4-Chloro-phenyl)-4,4-dimethyl-2-[1,2,4]triazol-1-yl-pentan-3-one

Sources & evidence

ORD record
ord-d3d5c7e8adeb4b7c9779468807c0f047
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes