1,2-Dichloroethane → Diclopentezol

HRID 685052

Reaction equation

HRID 685052 reaction equation
[Cl:32][CH2:33][CH2:34][Cl:35].[Cl:6][c:7]1[c:8]([CH:14]=[C:15]([C:16]([C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[n:22]2[n:23][cH:24][n:25][cH:26]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1.[OH2:31].[OH:27][N+:28](=[O:29])[O-:30].[P:1](=[O:2])([OH:3])([OH:4])[OH:5]>>[Cl:6][c:7]1[c:8]([CH:14]=[C:15]([CH:16]([C:17]([CH3:18])([CH3:19])[CH3:20])[OH:21])[n:22]2[n:23][cH:24][n:25][cH:26]2)[cH:9][cH:10][c:11]([Cl:13])[cH:12]1

Participants

6

Reactant 5

HCID 111,2-DichloroethaneHCID 944Nitric AcidHCID 962WaterHCID 1004Phosphoric AcidHCID 540307821-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl1-penten-3-one

Product 1

HCID 91738Diclopentezol

Sources & evidence

ORD record
ord-2987426b64c04021992bdf1b15485683
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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