N,N-Dimethylaniline → 2,9-Dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-b][1,5]benzoxazepine
Reaction equation
[CH3:1][c:2]1[cH:3][c:4]2[c:5]([s:17]1)[O:6][c:7]1[c:8]([cH:12][cH:13][cH:14][c:15]1[CH3:16])[NH:9][C:10]2=[O:11].[CH3:23][N:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH3:31].[CH3:32][N:33]1[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]1.[P:18]([Cl:19])([Cl:20])([Cl:21])=[O:22]>>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([s:17]1)[O:6][c:7]1[c:8]([cH:12][cH:13][cH:14][c:15]1[CH3:16])[N:9]=[C:10]2[N:36]1[CH2:35][CH2:34][N:33]([CH3:32])[CH2:38][CH2:37]1Participants
5
Sources & evidence
- ORD record
- ord-cabeaedfef4246dd84a74ebbed0a46ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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