Toluene → HCID 178462440, compound
Reaction equation
[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[I:1][C:2]([CH3:3])=[CH:4][CH2:5][CH:6]([OH:7])[c:8]1[cH:9][c:10]2[cH:11][cH:12][cH:13][n:14][c:15]2[cH:16][cH:17]1.[N:35]12[CH2:36][CH2:37][CH2:38][N:39]=[C:40]1[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2.[c:18]1([P:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)(=[O:26])[N:32]=[N+:33]=[N-:34])[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[I:1][C:2]([CH3:3])=[CH:4][CH2:5][CH:6]([c:8]1[cH:9][c:10]2[cH:11][cH:12][cH:13][n:14][c:15]2[cH:16][cH:17]1)[N:32]=[N+:33]=[N-:34]Participants
6
Sources & evidence
- ORD record
- ord-9318ff6438d94ee68adac9b0617b09e2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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