Ammonium → 2-(2',6'-Dichloro-4'-aminophenyl)-5,5-dimethyl-1,3-cyclohexanedione
Reaction equation
[CH3:25][CH2:26][OH:27].[Cl:1][c:2]1[c:3]([CH:12]2[C:13](=[O:21])[CH2:14][C:15]([CH3:19])([CH3:20])[CH2:16][C:17]2=[O:18])[c:4]([Cl:11])[cH:5][c:6]([N+:8]([O-:9])=[O:10])[cH:7]1.[NH4+:24].[OH-:23].[SH2:22]>>[Cl:1][c:2]1[c:3]([CH:12]2[C:13](=[O:21])[CH2:14][C:15]([CH3:19])([CH3:20])[CH2:16][C:17]2=[O:18])[c:4]([Cl:11])[cH:5][c:6]([NH2:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-04393f3de16c4ce88dfc7cc325fe35e0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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