Acetate → 1-Acetoxy-2,4,6-trinitro-2,4,6-triazaheptane
Reaction equation
[C:43]([OH:44])(=[O:45])[CH3:46].[CH3:18][C:19]([O:20][C:21]([CH3:22])=[O:23])=[O:24].[CH3:1][C:2]([O-:3])=[O:4].[CH3:25][N:26]([CH2:27][N:28]([CH2:29][N:30]([CH2:31][OH:32])[N+:33](=[O:34])[O-:35])[N+:36](=[O:37])[O-:38])[N+:39](=[O:40])[O-:41].[O-:5][N+:6](=[O:7])[O-:8].[O-:9][S:10](=[O:11])(=[O:12])[O-:13].[OH2:42].[OH:14][N+:15](=[O:16])[O-:17]>>[CH3:1][C:2]([O:3][CH2:31][N:30]([CH2:29][N:28]([CH2:27][N:26]([CH3:25])[N+:39](=[O:40])[O-:41])[N+:36](=[O:37])[O-:38])[N+:33](=[O:34])[O-:35])=[O:4]Participants
9
Sources & evidence
- ORD record
- ord-ce65d4fdfdfa4a39a362bc2122ca4e5e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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