Toluene → HCID 42625428, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH:17]([CH3:18])[OH:19])[cH:12][cH:13][c:14]1[O:15][CH3:16].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[N:37]12[CH2:38][CH2:39][CH2:40][N:41]=[C:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2.[c:20]1([P:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)(=[O:28])[N:34]=[N+:35]=[N-:36])[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([CH:17]([CH3:18])[N:34]=[N+:35]=[N-:36])[cH:12][cH:13][c:14]1[O:15][CH3:16]Participants
5
Sources & evidence
- ORD record
- ord-df091dd2a9c94a12a2265fd06c8e854c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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