N,N-Dimethylaniline → 2-Methyl-4-(4-methylpiperazin-1-yl)-7-nitrothieno[2,3-b][1,5]benzoxazepine
Reaction equation
[CH3:1][c:2]1[cH:3][c:4]2[c:5]([s:19]1)[O:6][c:7]1[c:8]([cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1)[NH:9][C:10]2=[O:11].[CH3:25][N:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH3:33].[CH3:34][N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[P:20]([Cl:21])([Cl:22])([Cl:23])=[O:24]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([s:19]1)[O:6][c:7]1[c:8]([cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]1)[N:9]=[C:10]2[N:38]1[CH2:37][CH2:36][N:35]([CH3:34])[CH2:40][CH2:39]1Participants
5
Sources & evidence
- ORD record
- ord-8dcdee8e53df4db6a08dbdd08e975cea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…