Acetone → p-Toluenesulfonic acid

HRID 2327393Notes

Reaction equation

HRID 2327393 reaction equation
[CH2:23]([Cl:24])[Cl:25].[CH3:26][C:27](=[O:28])[CH3:29].[Cl:18][CH2:19][CH2:20][C:21]#[N:22].[NH2:1][S:2]([NH2:3])(=[O:4])=[O:5].[OH2:6].[c:7]1([CH3:17])[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[OH:16])[cH:11][cH:12]1>>[NH2:1][S:2]([NH:3][C:21]([CH2:20][CH2:19][Cl:18])=[NH:22])(=[O:4])=[O:5].[c:7]1([CH3:17])[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[OH:16])[cH:11][cH:12]1

Participants

8

Reactant 6

HCID 180AcetoneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 109633-ChloropropionitrileHCID 82267Sulfamide

Product 2

HCID 6101p-Toluenesulfonic acidHCID 178511036HCID 178511036, compound

Sources & evidence

ORD record
ord-96c5a7122749463d8ee7720c92c26311
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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