Toluene → HCID 22603175, compound
Reaction equation
[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[OH:1][CH2:2][CH:3]([CH2:4][CH3:5])[NH:6][c:7]1[c:8]([CH3:24])[c:9]([O:14][c:15]2[c:16]([CH3:23])[cH:17][c:18]([CH3:22])[cH:19][c:20]2[CH3:21])[n:10][c:11]([CH3:13])[cH:12]1.[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)(=[O:33])[N:39]=[N+:40]=[N-:41])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH2:2]([CH:3]([CH2:4][CH3:5])[NH:6][c:7]1[c:8]([CH3:24])[c:9]([O:14][c:15]2[c:16]([CH3:23])[cH:17][c:18]([CH3:22])[cH:19][c:20]2[CH3:21])[n:10][c:11]([CH3:13])[cH:12]1)[N:39]=[N+:40]=[N-:41]Participants
4
Sources & evidence
- ORD record
- ord-bafc5611de3b4e1b9f6bd0f96772400d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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