1,2,4-Trichlorobenzene → 1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one

HRID 1240771Notes

Reaction equation

HRID 1240771 reaction equation
[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH:9]([C:10]([C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:16]2[n:17][cH:18][n:19][cH:20]2)[n:21]2[cH:22][n:23][cH:24][n:25]2)[cH:6][cH:7]1.[Cl:26][c:27]1[cH:28][c:29]([Cl:30])[c:31]([Cl:32])[cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[C:9]([C:10]([C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[n:16]2[n:17][cH:18][n:19][cH:20]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 131,2,4-TrichlorobenzeneHCID 1140TolueneHCID 130348531-(4-Chlorophenyl)-4,4-dimethyl-1,2-bis(1,2,4-triazol-1-yl)-pentan-3-one

Product 1

HCID 540228171-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one

Sources & evidence

ORD record
ord-c15ec5e5dae84a4c9385dcf30a38a850
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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