p-Toluenesulfonic acid → p-Toluenesulfonic acid

HRID 675330Notes

Reaction equation

HRID 675330 reaction equation
[CH3:29][c:30]1[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[OH:39])[cH:34][cH:35]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]3[CH2:10][N:11]([C:15]([O:16][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[CH:12]([CH2:13]2)[CH2:14]3)[cH:6][n:7]1.[Cl:40][CH2:41][Cl:42].[OH:22][C:23]([C:24]([F:25])([F:26])[F:27])=[O:28]>>[CH3:29][c:30]1[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[OH:39])[cH:34][cH:35]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH:9]3[CH2:10][NH:11][CH:12]([CH2:13]2)[CH2:14]3)[cH:6][n:7]1

Participants

7

Reactant 5

HCID 6101p-Toluenesulfonic acidHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 178451434HCID 178451434, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 9925774HCID 9925774, compound

Sources & evidence

ORD record
ord-41ebf0df67d749f7b79b18b05496e64d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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