Acetone → Sulofenur

HRID 164435Notes

Reaction equation

HRID 164435 reaction equation
[CH2:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6]([S:10](=[O:11])(=[O:12])[NH2:13])[cH:7][cH:8][c:9]21.[CH3:27][C:28](=[O:29])[CH3:30].[Cl:16][c:17]1[cH:18][cH:19][c:20]([N:23]=[C:24]=[O:25])[cH:21][cH:22]1.[Na+:15].[OH-:14].[OH2:26]>>[CH2:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6]([S:10](=[O:11])(=[O:12])[NH:13][C:24]([NH:23][c:20]3[cH:19][cH:18][c:17]([Cl:16])[cH:22][cH:21]3)=[O:25])[cH:7][cH:8][c:9]21

Participants

7

Reactant 6

HCID 180AcetoneHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 76934-Chlorophenyl IsocyanateHCID 96876Indan-5-sulphonamide

Product 1

HCID 60417Sulofenur

Sources & evidence

ORD record
ord-12c3e7fb590149418440c76cf9920231
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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