Calcium Cation → 3-Hexyl-6-(3-aminophenyl)-6-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]1[C:8](=[O:28])[CH:9]2[C:10]([CH2:14][C:15]([F:16])([F:17])[F:18])([c:19]3[cH:20][c:21]([N+:25]([O-:26])=[O:27])[cH:22][cH:23][cH:24]3)[CH:11]2[C:12]1=[O:13].[CH3:32][CH2:33][OH:34].[Ca+2:31].[Cl-:29].[Cl-:30].[Fe:36].[OH2:35]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]1[C:8](=[O:28])[CH:9]2[C:10]([CH2:14][C:15]([F:16])([F:17])[F:18])([c:19]3[cH:20][c:21]([NH2:25])[cH:22][cH:23][cH:24]3)[CH:11]2[C:12]1=[O:13]Participants
7
Sources & evidence
- ORD record
- ord-cf464143e7574cad91ab4be8421d5ea7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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