1,2-Dichloroethane → 4-nitro-1H-pyrazole-3-carboxylic acid (2-amino-4,5-dimethoxy-phenyl)-amide
Reaction equation
[CH2:1]([Cl:2])[CH2:3][Cl:4].[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:33][O:34][c:35]1[cH:36][c:37]([NH2:44])[c:38]([NH2:43])[cH:39][c:40]1[O:41][CH3:42].[N+:22](=[O:23])([O-:24])[c:25]1[c:26]([C:30](=[O:31])[OH:32])[n:27][nH:28][cH:29]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH:5][n:6]1[c:7]2[c:8]([cH:9][cH:10][cH:11][cH:12]2)[n:13][n:14]1>>[N+:22](=[O:23])([O-:24])[c:25]1[c:26]([C:30](=[O:32])[NH:44][c:37]2[cH:36][c:35]([O:34][CH3:33])[c:40]([O:41][CH3:42])[cH:39][c:38]2[NH2:43])[n:27][nH:28][cH:29]1Participants
7
Sources & evidence
- ORD record
- ord-1bac42c09f5649e2aa211fdcfabc6012
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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