Acetic Acid → 4,4,4-Trichloro-2-(3,5-dichlorophenyl)butane-1,2-diol
Reaction equation
[C:21]([O:22][OH:23])(=[O:24])[CH3:25].[CH2:38]([Cl:39])[Cl:40].[CH3:41][OH:42].[CH3:43][C:44](=[O:45])[OH:46].[Cl:1][C:2]([CH2:3][C:4](=[CH2:5])[c:6]1[cH:7][c:8]([Cl:13])[cH:9][c:10]([Cl:12])[cH:11]1)([Cl:14])[Cl:15].[OH2:37].[S:16]([OH:17])(=[O:18])(=[O:19])[OH:20].[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([OH:32])(=[O:33])=[O:34])[cH:35][cH:36]1>>[Cl:1][C:2]([CH2:3][C:4]([CH2:5][OH:37])([c:6]1[cH:7][c:8]([Cl:13])[cH:9][c:10]([Cl:12])[cH:11]1)[OH:17])([Cl:14])[Cl:15]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-4f99e413cdda4ab3bf02c54fc344b8b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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