Potassium Cation → Toluene-4-sulfonic acid 3-(4-chloro-phenyl)-prop-2-ynyl ester
Reaction equation
[CH3:26][CH2:27][O:28][CH2:29][CH3:30].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][OH:11])[cH:6][cH:7]1.[K+:24].[OH-:23].[OH2:25].[c:12]1([CH3:22])[cH:13][cH:14][c:15]([S:18](=[O:19])(=[O:20])[Cl:21])[cH:16][cH:17]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]#[C:9][CH2:10][O:11][S:18]([c:15]2[cH:14][cH:13][c:12]([CH3:22])[cH:17][cH:16]2)(=[O:19])=[O:20])[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-17b16cfff37545d0a1afcd5a3488e8c8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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