Water → 1-(2,6-Dichlorophenylsulphonylcarbamoyl)-3,5,5-trimethyl-2-pyrazoline

HRID 159300Notes

Reaction equation

HRID 159300 reaction equation
[CH3:1][C:2]1=[N:3][NH:4][C:5]([CH3:7])([CH3:8])[CH2:6]1.[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[Cl:9][c:10]1[c:11]([S:17](=[O:18])(=[O:19])[N:20]=[C:21]=[O:22])[c:12]([Cl:16])[cH:13][cH:14][cH:15]1.[OH2:23]>>[CH3:1][C:2]1=[N:3][N:4]([C:21]([NH:20][S:17]([c:11]2[c:10]([Cl:9])[cH:15][cH:14][cH:13][c:12]2[Cl:16])(=[O:18])=[O:19])=[O:22])[C:5]([CH3:7])([CH3:8])[CH2:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 2314643,5,5-Trimethyl-2-pyrazolineHCID 128751892,6-Dichlorobenzenesulfonyl isocyanate

Product 1

HCID 230508981-(2,6-Dichlorophenylsulphonylcarbamoyl)-3,5,5-trimethyl-2-pyrazoline

Sources & evidence

ORD record
ord-55d70c744bf9412a8eacd47ff89ba348
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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