4-Nitrophenol → HCID 54415097, compound
Reaction equation
[C:50]([O:51][CH2:52][CH3:53])(=[O:54])[CH3:55].[C:56](#[N:57])[CH3:58].[CH2:1]([CH:2]=[C:3]([CH3:4])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:9])[CH3:10])[CH:11]([C:12](=[O:13])[OH:14])[CH2:15][CH:16]=[C:17]([CH3:18])[CH2:19][CH2:20][CH:21]=[C:22]([CH3:23])[CH3:24].[CH:35]1([N:36]=[C:37]=[N:38][CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[N+:25](=[O:26])([O-:27])[c:28]1[cH:29][cH:30][c:31]([OH:34])[cH:32][cH:33]1>>[CH2:1]([CH:2]=[C:3]([CH3:4])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:9])[CH3:10])[CH:11]([C:12]([O:13][c:31]1[cH:30][cH:29][c:28]([N+:25](=[O:26])[O-:27])[cH:33][cH:32]1)=[O:14])[CH2:15][CH:16]=[C:17]([CH3:18])[CH2:19][CH2:20][CH:21]=[C:22]([CH3:23])[CH3:24]Participants
6
Sources & evidence
- ORD record
- ord-00ef196a2f524e13b427201261aff625
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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