Toluene → HCID 44633762, compound
Reaction equation
[CH3:13][Al:14]([CH3:15])[CH3:16].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][NH2:7])[cH:8][cH:9][c:10]1[O:11][CH3:12].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[F:17][c:18]1[n:19][cH:20][c:21]([CH3:40])[cH:22][c:23]1-[c:24]1[cH:25][c:26]([C:36](=[O:37])[O:38][CH3:39])[c:27](-[c:30]2[n:31][cH:32][cH:33][cH:34][cH:35]2)[n:28][cH:29]1>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][NH:7][C:36]([c:26]2[cH:25][c:24](-[c:23]3[c:18]([F:17])[n:19][cH:20][c:21]([CH3:40])[cH:22]3)[cH:29][n:28][c:27]2-[c:30]2[n:31][cH:32][cH:33][cH:34][cH:35]2)=[O:37])[cH:8][cH:9][c:10]1[O:11][CH3:12]Participants
6
Sources & evidence
- ORD record
- ord-bad75fe22a1f43478464b95f0cb387f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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