Toluene → HCID 178465588, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][NH:12][Cl:13])[cH:14][c:15]([Br:18])[cH:16][cH:17]1.[CH3:19][Al:20]([CH3:21])[CH3:22].[CH3:23][C:24]#[N:25].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl:26][CH2:27][Cl:28]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH2:11][NH:12][C:24]([CH3:23])=[NH:25])[cH:14][c:15]([Br:18])[cH:16][cH:17]1Participants
6
Sources & evidence
- ORD record
- ord-46690187659046ac9219725a130c660d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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