Acetic Acid → p-Toluenesulfonate

HRID 190110Notes

Reaction equation

HRID 190110 reaction equation
[C:1]([O:2][OH:4])(=[O:3])[CH3:5].[CH3:25][O:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:33][CH2:34][O:35][CH2:36][CH3:37].[CH3:38][C:39](=[O:40])[OH:41].[I:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[OH2:13].[c:14]1([CH3:24])[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[OH:23])[cH:18][cH:19]1>>[CH3:1][O:3][c:10]1[cH:9][cH:8][c:7]([IH+:6])[cH:12][cH:11]1.[c:14]1([CH3:24])[cH:15][cH:16][c:17]([S:20](=[O:21])(=[O:22])[O-:23])[cH:18][cH:19]1

Participants

9

Reactant 7

HCID 176Acetic AcidHCID 962WaterHCID 3283Diethyl EtherHCID 6101p-Toluenesulfonic acidHCID 6585Peracetic AcidHCID 7519AnisoleHCID 11575Iodobenzene

Product 2

HCID 85570p-ToluenesulfonateHCID 18432121HCID 18432121, compound

Sources & evidence

ORD record
ord-d1bb7a32dbb245cb8c33b387c9baf3f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…