Toluene → HCID 72297445, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[c:9]2[c:10]([cH:16][c:17]([CH2:24][CH3:25])[c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]2)[CH:11]([OH:15])[CH2:12][CH2:13][CH2:14]1.[CH2:43]1[CH2:44][CH2:45][C:46]2=[N:51][CH2:50][CH2:49][CH2:48][N:47]2[CH2:52][CH2:53]1.[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)(=[O:34])[N:40]=[N+:41]=[N-:42])[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[c:9]2[c:10]([cH:16][c:17]([CH2:24][CH3:25])[c:18]([C:20]([F:21])([F:22])[F:23])[cH:19]2)[CH:11]([N:40]=[N+:41]=[N-:42])[CH2:12][CH2:13][CH2:14]1Participants
5
Sources & evidence
- ORD record
- ord-c6d39b701fb149f0bc3216ecfe340d56
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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