Cyanogen Bromide → (+/-)-Isopropyl 5-[(3,5-bistrifluoromethyl-benzyl)-cyano-amino]-8-chloro-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate
Reaction equation
[F:4][C:5]([c:6]1[cH:7][c:8]([CH2:9][NH:10][CH:11]2[c:12]3[c:13]([cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[N:14]([C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23])[CH2:15][CH2:16][CH2:17]2)[cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37].[N:1]#[C:2][Br:3]>>[N:1]#[C:2][N:10]([CH2:9][c:8]1[cH:7][c:6]([C:5]([F:4])([F:36])[F:37])[cH:31][c:30]([C:32]([F:33])([F:34])[F:35])[cH:29]1)[CH:11]1[c:12]2[c:13]([cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[N:14]([C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23])[CH2:15][CH2:16][CH2:17]1Participants
3
Sources & evidence
- ORD record
- ord-6eba6f758db54a0082b31c0e70806840
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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