Toluene → HCID 20780008, compound
Reaction equation
[CH2:13]([O:15][C:16](=[O:14])[c:18]1[c:19]([CH3:36])[n:20][c:21]2[n:22]1[cH:23][c:24]([Cl:35])[n:25]2-[c:26]1[c:27]([CH3:34])[cH:28][c:29]([CH3:33])[cH:30][c:31]1[CH3:32])[CH3:17].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:9][Al:10]([CH3:11])[CH3:12].[CH:1]1([CH2:4][NH:5][CH2:6][CH2:7][CH3:8])[CH2:2][CH2:3]1>>[CH:1]1([CH2:4][N:5]([CH2:6][CH2:7][CH3:8])[C:16](=[O:15])[c:18]2[c:19]([CH3:36])[n:20][c:21]3[n:22]2[cH:23][c:24]([Cl:35])[n:25]3-[c:26]2[c:27]([CH3:34])[cH:28][c:29]([CH3:33])[cH:30][c:31]2[CH3:32])[CH2:2][CH2:3]1Participants
5
Sources & evidence
- ORD record
- ord-ad274eefec3041c096ba48cb43fb1c69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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