Chloride → p-Toluenesulfonate

HRID 147888Notes

Reaction equation

HRID 147888 reaction equation
[CH3:2][c:3]1[c:4](-[n+:11]2[cH:12][n:13](-[c:16]3[c:17]([CH3:24])[cH:18][c:19]([CH3:23])[cH:20][c:21]3[CH3:22])[cH:14][cH:15]2)[c:5]([CH3:10])[cH:6][c:7]([CH3:9])[cH:8]1.[CH3:37][OH:38].[Cl-:1].[Na+:36].[O-:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]1>>[CH3:2][c:3]1[c:4](-[n+:11]2[cH:12][n:13](-[c:16]3[c:17]([CH3:24])[cH:18][c:19]([CH3:23])[cH:20][c:21]3[CH3:22])[cH:14][cH:15]2)[c:5]([CH3:10])[cH:6][c:7]([CH3:9])[cH:8]1.[O:25]=[S:26](=[O:27])([O-:28])[c:29]1[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]1

Participants

7

Reactant 5

HCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 85570p-ToluenesulfonateHCID 2734212CID 2734212

Product 2

HCID 85570p-ToluenesulfonateHCID 2734212CID 2734212

Sources & evidence

ORD record
ord-719b42eb4bc943e0adf5e51b3b5a7f1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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