Beta-Alanine → 3-(Cyano-methoxycarbonyl-methylene)-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][C:11](=[O:16])[CH2:12][CH:13]1[CH2:14][CH2:15]2.[CH2:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:17][O:18][C:19]([CH2:20][C:21]#[N:22])=[O:23].[NH2:30][CH2:31][CH2:32][C:33]([OH:34])=[O:35].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]2[CH2:10][C:11](=[C:20]([C:19]([O:18][CH3:17])=[O:23])[C:21]#[N:22])[CH2:12][CH:13]1[CH2:14][CH2:15]2Participants
6
Sources & evidence
- ORD record
- ord-890807c047084772b82d8321705c15fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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