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

HRID 137477Notes

Reaction equation

HRID 137477 reaction equation
[CH:26]([Cl:27])([Cl:28])[Cl:29].[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: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

3

Reactant 2

HCID 6212ChloroformHCID 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-34d8fa6053a74592b0e1621344edb99b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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