Benzene → HCID 19822194, compound
Reaction equation
[CH3:1][CH:2]([CH2:3][CH2:4][C:5]1([CH2:20][O:21][c:22]2[cH:23][cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]2)[O:6][c:7]2[c:8]([CH3:19])[c:9]([CH3:18])[c:10]([OH:17])[c:11]([CH3:16])[c:12]2[C:13](=[O:15])[CH2:14]1)[CH2:31][CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36].[CH3:37][C:38](=[O:39])[O:40][C:41](=[O:42])[CH3:43].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1.[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[CH3:1][CH:2]([CH2:3][CH2:4][C:5]1([CH2:20][O:21][c:22]2[cH:23][cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]2)[O:6][c:7]2[c:8]([CH3:19])[c:9]([CH3:18])[c:10]([O:17][C:38]([CH3:37])=[O:39])[c:11]([CH3:16])[c:12]2[C:13](=[O:15])[CH2:14]1)[CH2:31][CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36]Participants
5
Sources & evidence
- ORD record
- ord-7437a4e37ac34df4853c8678312dffba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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