Sodium ion → 3-tert-butoxycarbonyl-7-chloro-6-(1-cyano-1-methyl-ethylthio)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][CH:21]([CH3:22])[C:23]#[N:24])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1.[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[H-:25].[I:27][CH3:28].[Na+:26]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][c:11]2[c:12]([c:15]([S:20][C:21]([CH3:22])([C:23]#[N:24])[CH3:28])[c:16]([Cl:19])[cH:17][cH:18]2)[CH2:13][CH2:14]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-44f0603c851b42fdad1b6b5c474d3077
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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