4-Methylbenzoyl Chloride → 1-Benzyl-3-p-tolyl-1,4,5,6,7,8-hexahydro-1,2,6-triaza-azulene
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10](-[c:18]2[cH:19][cH:20][c:21]([Cl:24])[cH:22][cH:23]2)[c:11]2[c:17]1[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2.[CH3:25][c:26]1[cH:27][cH:28][c:29]([C:30]([Cl:31])=[O:32])[cH:33][cH:34]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[n:9][c:10](-[c:18]2[cH:19][cH:20][c:21]([CH3:25])[cH:22][cH:23]2)[c:11]2[c:17]1[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2Participants
3
Sources & evidence
- ORD record
- ord-24912bf38e1c4a029f46302b8771a728
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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