Toluene → 5-(2-ethylamino-ethyl)-3-methyl-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepin-4-one
Reaction equation
[CH2:1]([O:3][C:4](=[O:2])[c:6]1[c:7]([CH2:12][CH2:13][CH2:14][NH:15][CH2:16][CH2:17][NH:18][CH2:19][CH3:20])[nH:8][cH:9][c:10]1[CH3:11])[CH3:5].[CH3:21][Al:22]([CH3:23])[CH3:24].[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[O:3]=[C:4]1[c:6]2[c:7]([nH:8][cH:9][c:10]2[CH3:11])[CH2:12][CH2:13][CH2:14][N:15]1[CH2:16][CH2:17][NH:18][CH2:19][CH3:20]Participants
4
Sources & evidence
- ORD record
- ord-8afc9c31607d4abc82d3cbad5756f85c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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