Isopropylethanediol → Dimethyl 1-(2-isopropoxyethyl)-4-nitro-1H-pyrazole-3,5-dicarboxylate
Reaction equation
[CH:36]([CH3:37])([CH3:38])[O:39][CH2:40][CH2:41][OH:42].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:13](=[O:14])[O:15][CH3:16])[n:6][nH:7][c:8]1[C:9](=[O:10])[O:11][CH3:12].[O:43]=[C:44]([O:45][CH:46]([CH3:47])[CH3:48])[N:49]=[N:50][C:51]([O:52][CH:53]([CH3:54])[CH3:55])=[O:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([C:13](=[O:14])[O:15][CH3:16])[n:6][n:7]([CH2:41][CH2:40][O:39][CH:36]([CH3:37])[CH3:38])[c:8]1[C:9](=[O:10])[O:11][CH3:12]Participants
6
Sources & evidence
- ORD record
- ord-bce02654b4f34358886d9948fd5f585d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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