Toluene → HCID 178453671, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][NH2:10])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17].[C:28](=[O:29])([O-:30])[O-:31].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Cs+:32].[Cs+:33].[N+:18](=[O:19])([O-:20])[c:21]1[c:22]([I:27])[cH:23][cH:24][cH:25][cH:26]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][NH:10][c:22]1[c:21]([N+:18](=[O:19])[O-:20])[cH:26][cH:25][cH:24][cH:23]1)[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:17]Participants
6
Sources & evidence
- ORD record
- ord-aa9879feed544287ad7cb43fa34bbea8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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