Ethanol → p-Toluenesulfonate

HRID 685168Notes

Reaction equation

HRID 685168 reaction equation
[B-:1]([F:2])([F:3])([F:4])[F:5].[C:6](=[O:7])([O:8][CH2:9][CH3:10])[c:11]1[c:12]([S+:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38])[cH:13][cH:14][cH:15][cH:16]1.[CH2:55]([Cl:56])[Cl:57].[CH3:39][CH2:40][OH:41].[K+:53].[O-:42][S:43](=[O:44])(=[O:45])[c:46]1[cH:47][cH:48][c:49]([CH3:50])[cH:51][cH:52]1.[OH2:54]>>[C:6](=[O:7])([O:8][CH2:9][CH3:10])[c:11]1[c:12]([S+:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][CH3:38])[cH:13][cH:14][cH:15][cH:16]1.[O:42]=[S:43](=[O:44])([O-:45])[c:46]1[cH:47][cH:48][c:49]([CH3:50])[cH:51][cH:52]1

Participants

9

Reactant 7

HCID 702EthanolHCID 813Potassium CationHCID 962WaterHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 85570p-ToluenesulfonateHCID 4581100HCID 4581100, compound

Product 2

HCID 85570p-ToluenesulfonateHCID 4581100HCID 4581100, compound

Sources & evidence

ORD record
ord-230b90095910484fbea44e9473a39f73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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