Isopropanol → Methyl 2-(4-hexenoyl)-4-nitro-3-(1,3-benzodioxole-5-yl)butyrate
Reaction equation
[C:44]([O:45][CH2:46][CH3:47])(=[O:48])[CH3:49].[CH2:27]1[CH2:28][CH2:29][C:30]2=[N:35][CH2:34][CH2:33][CH2:32][N:31]2[CH2:36][CH2:37]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:38][CH2:39][CH2:40][CH2:41][CH2:42][CH3:43].[CH:50]([OH:51])([CH3:52])[CH3:53].[N+:13](=[O:14])([O-:15])[CH:16]=[CH:17][c:18]1[cH:19][c:20]2[c:21]([cH:25][cH:26]1)[O:22][CH2:23][O:24]2.[O:1]=[C:2]([CH2:3][C:4](=[O:5])[O:6][CH3:7])[CH2:8][CH2:9][CH:10]=[CH:11][CH3:12]>>[O:1]=[C:2]([CH:3]([C:4](=[O:5])[O:6][CH3:7])[CH:17]([CH2:16][N+:13](=[O:14])[O-:15])[c:18]1[cH:19][c:20]2[c:21]([cH:25][cH:26]1)[O:22][CH2:23][O:24]2)[CH2:8][CH2:9][CH:10]=[CH:11][CH3:12]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-1053785f3d0049e0bbb112e31373b249
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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