Toluene → HCID 72825631, compound
Reaction equation
[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[N:34]12[CH2:35][CH2:36][CH2:37][N:38]=[C:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2.[OH:1][CH:2]([CH2:3][CH:4]=[C:5]([CH3:6])[I:7])[C:8](=[CH:9][c:10]1[n:11][c:12]([CH3:15])[s:13][cH:14]1)[CH3:16].[c:17]1([P:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)(=[O:25])[N:31]=[N+:32]=[N-:33])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH:2]([CH2:3][CH:4]=[C:5]([CH3:6])[I:7])([C:8](=[CH:9][c:10]1[n:11][c:12]([CH3:15])[s:13][cH:14]1)[CH3:16])[N:31]=[N+:32]=[N-:33]Participants
6
Sources & evidence
- ORD record
- ord-2cd68d435bcb464ab41c404e8a131ab7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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