2-Nitrophenol → HCID 178474359, compound
Reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([I:28])[c:7]([C:8](=[O:9])[NH:10][CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[OH:18])[c:19]([I:27])[c:20]([NH:23][C:24]([CH3:25])=[O:26])[c:21]1[I:22].[CH:39]1([N:40]=[C:41]=[N:42][CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[N+:29](=[O:30])([O-:31])[c:32]1[c:33]([OH:38])[cH:34][cH:35][cH:36][cH:37]1>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([I:28])[c:7]([C:8](=[O:9])[NH:10][CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[C:16]([O:17][c:33]2[c:32]([N+:29](=[O:30])[O-:31])[cH:37][cH:36][cH:35][cH:34]2)=[O:18])[c:19]([I:27])[c:20]([NH:23][C:24]([CH3:25])=[O:26])[c:21]1[I:22]Participants
4
Sources & evidence
- ORD record
- ord-d680cc58aa584ff48a22841f741c58dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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