Benzene → Isoxapyrifop

HRID 188580Notes

Reaction equation

HRID 188580 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][S:34]([CH3:35])=[O:36].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:9])[cH:6][c:7]1[Cl:8].[K+:31].[K+:32].[OH2:43].[OH:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH:16]([C:17](=[O:18])[N:19]2[O:20][CH2:21][CH2:22][CH2:23]2)[CH3:24])[cH:25][cH:26]1.[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:2]1([O:10][c:11]2[cH:12][cH:13][c:14]([O:15][CH:16]([C:17](=[O:18])[N:19]3[O:20][CH2:21][CH2:22][CH2:23]3)[CH3:24])[cH:25][cH:26]2)[n:3][cH:4][c:5]([Cl:9])[cH:6][c:7]1[Cl:8]

Participants

8

Reactant 7

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 27666Pyridine, 2,3,5-trichloro-HCID 132794342-(4-Hydroxyphenoxy)-1-(1,2-oxazolidin-2-yl)propan-1-one

Product 1

HCID 174656Isoxapyrifop

Sources & evidence

ORD record
ord-b24a65cb23eb4f439637dc460ac049f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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