Benzene → HCID 13423372, compound
Reaction equation
[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][NH2:6])[CH2:7][CH3:8].[Cl-:9].[N+:10](=[O:11])([O-:12])[c:13]1[cH:14][cH:15][c:16](-[c:17]2[o:18][c:19]3[c:20]([C:28](=[O:29])[OH:30])[cH:21][cH:22][cH:23][c:24]3[c:25](=[O:27])[cH:26]2)[cH:31][cH:32]1.[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH2:1]([CH3:2])[N:3]([CH2:4][CH2:5][NH:6][C:28]([c:20]1[c:19]2[o:18][c:17](-[c:16]3[cH:15][cH:14][c:13]([N+:10](=[O:11])[O-:12])[cH:32][cH:31]3)[cH:26][c:25](=[O:27])[c:24]2[cH:23][cH:22][cH:21]1)=[O:29])[CH2:7][CH3:8]Participants
5
Sources & evidence
- ORD record
- ord-dff8249d4ef046d491a196aaa9d0cfd8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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