2-Propenoic acid, 3-(4-nitrophenyl)- → HCID 178449057, compound
Reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]([CH:6]([CH2:7][CH2:8][CH2:9][CH2:10][NH2:11])[C:12](=[O:13])[OH:14])[S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1.[N+:27](=[O:28])([O-:29])[c:30]1[cH:31][cH:32][c:33]([CH:34]=[CH:35][C:36](=[O:37])[OH:38])[cH:39][cH:40]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]([CH:6]([CH2:7][CH2:8][CH2:9][CH2:10][NH:11][C:36]([CH:35]=[CH:34][c:33]1[cH:32][cH:31][c:30]([N+:27](=[O:28])[O-:29])[cH:40][cH:39]1)=[O:37])[C:12](=[O:13])[OH:14])[S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1Participants
3
Sources & evidence
- ORD record
- ord-5fa0eb4c8f8c49a5ac57dd7897914dcf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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