Tetrahydrofuran → Tert-butyl 5-[[3,5-bis(trifluoromethyl)phenyl]methyl-cyanoamino]-7-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
Reaction equation
[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[F:4][C:5]([c:6]1[cH:7][c:8]([CH2:9][NH:10][CH:11]2[c:12]3[c:13]([cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[c:27]([CH3:29])[cH:28]3)[N:14]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:15][CH2:16][CH2:17]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42].[N:1]#[C:2][Br:3].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[N:1]#[C:2][N:10]([CH2:9][c:8]1[cH:7][c:6]([C:5]([F:4])([F:41])[F:42])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34]1)[CH:11]1[c:12]2[c:13]([cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[c:27]([CH3:29])[cH:28]2)[N:14]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:15][CH2:16][CH2:17]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-7a6385addf6f41eca6ba981ed6ba0c5d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…