3,3-Dimethyl-5,6-bis(nitrooxy)hexyl 4-nitrobenzoate → 3-(2,3-Bis(nitrooxy)propoxy)propanoic acid
Reaction equation
[CH2:21]([O:22][CH2:23][CH2:24][C:25]([O:26][c:27]1[cH:28][cH:29][c:30]([N+:31]([O-:32])=[O:33])[cH:34][cH:35]1)=[O:36])[CH:37]=[CH2:38].[N+:1]([c:2]1[cH:3][cH:4][c:5]([C:6]([O:7][CH2:8][CH2:9][C:10]([CH3:11])([CH3:12])[CH2:13][CH:14]=[CH2:15])=[O:16])[cH:17][cH:18]1)([O-:19])=[O:20].[N+:39]([c:40]1[cH:41][cH:42][c:43]([C:44]([O:45][CH2:46][CH2:47][C:48]([CH3:49])([CH3:50])[CH2:51][CH:52]([O:53][N+:54]([O-:55])=[O:56])[CH2:57][O:58][N+:59]([O-:60])=[O:61])=[O:62])[cH:63][cH:64]1)([O-:65])=[O:66].[N+:67](=[O:68])([O-:69])[O:70][CH:71]([CH2:72][O:73][CH2:74][CH2:75][C:76](=[O:77])[O:78][c:79]1[cH:80][cH:81][c:82]([N+:83]([O-:84])=[O:85])[cH:86][cH:87]1)[CH2:88][O:89][N+:90](=[O:91])[O-:92]>>[N+:67](=[O:68])([O-:69])[O:70][CH:71]([CH2:72][O:73][CH2:74][CH2:75][C:76](=[O:77])[OH:78])[CH2:88][O:89][N+:90](=[O:91])[O-:92]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-4d0dcb0a70414224afa2c7356e546b8c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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