Water → p-Toluenesulfonic acid

HRID 160930Notes

Reaction equation

HRID 160930 reaction equation
[CH2:28]([O:29][CH2:30][CH3:31])[CH3:32].[CH3:1][N:2]([CH:3]([CH2:4][CH2:5][O:6][c:7]1[cH:8][cH:9][c:10]([Cl:13])[n:11][cH:12]1)[CH3:14])[CH3:15].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[OH2:16].[c:17]1([CH3:27])[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[OH:26])[cH:21][cH:22]1>>[CH3:1][N:2]([CH:3]([CH2:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH3:28])[c:10]([Cl:13])[n:11][cH:12]1)[CH3:14])[CH3:15].[c:17]1([CH3:27])[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[OH:26])[cH:21][cH:22]1

Participants

7

Reactant 5

HCID 962WaterHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 8857Ethyl AcetateHCID 85789338HCID 85789338, compound

Product 2

HCID 6101p-Toluenesulfonic acidHCID 18763327HCID 18763327, compound

Sources & evidence

ORD record
ord-8f2eb7e19f6045c8a0f41101c7cd571b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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