Acetone → 3-(4,6-Dichloro-1,3,5-triazin-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane
Reaction equation
[CH3:19][C:20](=[O:21])[CH3:22].[CH:11]12[CH2:12][NH:13][CH2:14][CH:15]([CH2:16][CH2:17]1)[O:18]2.[Cl:1][c:2]1[n:3][c:4]([Cl:5])[n:6][c:7]([Cl:8])[n:9]1.[ClH:10].[Na+:28].[O-:24][C:25]([OH:26])=[O:27].[OH2:23]>>[c:2]1([N:13]2[CH2:12][CH:11]3[CH2:17][CH2:16][CH:15]([CH2:14]2)[O:18]3)[n:3][c:4]([Cl:5])[n:6][c:7]([Cl:8])[n:9]1Participants
8
Sources & evidence
- ORD record
- ord-99481b3298dd4e679cb7a22b07f1f9ea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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