Toluene → HCID 66744808, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10](-[c:17]2[n:18][n:19][c:20](-[c:22]3[cH:23][cH:24][c:25]([CH2:28][N:29]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH3:37])[cH:26][cH:27]3)[o:21]2)[n:11][c:12]([CH:15]=[CH2:16])[cH:13][n:14]1)[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[N+:45](=[N-:46])=[CH:47][C:48](=[O:49])[O:50][CH2:51][CH3:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([c:9]1[c:10](-[c:17]2[n:18][n:19][c:20](-[c:22]3[cH:23][cH:24][c:25]([CH2:28][N:29]([C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH3:37])[cH:26][cH:27]3)[o:21]2)[n:11][c:12]([CH:15]2[CH2:16][CH:47]2[C:48](=[O:49])[O:50][CH2:51][CH3:52])[cH:13][n:14]1)[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44]Participants
4
Sources & evidence
- ORD record
- ord-7cb85ca986c2452d8e8c063e5590c022
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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