1-Butanol → 1-[10,11-Dihydro-3-methoxy-8-methyl-dibenz[b,f]oxepin-10-yl]-4-(2-propynyl)piperazine
Reaction equation
[CH2:31]([C:32]#[CH:33])[Br:34].[CH2:35]([OH:36])[CH2:37][CH2:38][CH3:39].[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([cH:30]1)[O:14][c:15]1[c:16]([cH:25][c:26]([CH3:29])[cH:27][cH:28]1)[CH:17]([N:19]1[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1)[CH2:18]2.[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6]>>[CH3:7][O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([cH:30]1)[O:14][c:15]1[c:16]([cH:25][c:26]([CH3:29])[cH:27][cH:28]1)[CH:17]([N:19]1[CH2:20][CH2:21][N:22]([CH2:33][C:32]#[CH:31])[CH2:23][CH2:24]1)[CH2:18]2Participants
6
Sources & evidence
- ORD record
- ord-29016663afed47be8fb99c3a94613213
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…