2-Nitrobenzaldehyde → HCID 178496305, compound
Reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][O:13][CH3:14])[CH:6]([c:15]2[cH:16][c:17]([NH:21][OH:22])[cH:18][cH:19][cH:20]2)[C:5]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])=[C:4]([CH3:29])[NH:3]1.[N+:30](=[O:31])([O-:32])[c:33]1[c:34]([CH:35]=[O:36])[cH:37][cH:38][cH:39][cH:40]1>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][O:13][CH3:14])[CH:6]([c:15]2[cH:16][c:17]([N+:21]([O-:22])=[CH:35][c:34]3[c:33]([N+:30](=[O:31])[O-:32])[cH:40][cH:39][cH:38][cH:37]3)[cH:18][cH:19][cH:20]2)[C:5]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])=[C:4]([CH3:29])[NH:3]1Participants
3
Sources & evidence
- ORD record
- ord-dd749ff9fd924fadb0bda7c2163f1ecd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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