Toluene → tert-Butyl 4-chloro-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
Reaction equation
[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[OH:1][c:2]1[n:3][cH:4][n:5][c:6]2[c:12]1[CH2:11][CH2:10][N:9]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:8][CH2:7]2.[P:20]([Cl:21])([Cl:22])([Cl:23])=[O:24]>>[c:2]1([Cl:22])[n:3][cH:4][n:5][c:6]2[c:12]1[CH2:11][CH2:10][N:9]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:8][CH2:7]2Participants
4
Sources & evidence
- ORD record
- ord-5710225eeafc4a31a6cad0c46400a496
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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