Potassium Cation → 3-tert-butoxycarbonyl-7-chloro-6-(1-cyano-methylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[Br:30][CH2:31][C:32]#[N:33].[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][c:13]2[c:14]([c:17]([S:22][C:23](=[O:24])[N:25]([CH3:26])[CH3:27])[c:18]([Cl:21])[cH:19][cH:20]2)[CH2:15][CH2:16]1.[CH3:34][OH:35].[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[H-:28].[K+:2].[Na+:29].[OH-:1]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH2:11][CH2:12][c:13]2[c:14]([c:17]([S:22][CH2:23][C:32]#[N:33])[c:18]([Cl:21])[cH:19][cH:20]2)[CH2:15][CH2:16]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-f01ccb20190044209becda1b5bf8dd53
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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