Ammonium → 3-(4-Cyano-phenyl)-propionic acid tert-butyl ester
Reaction equation
[Br:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([C:35]#[N:36])[cH:33][cH:34]1.[C:19]([CH3:20])(=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH2:14]([Li:15])[CH2:16][CH2:17][CH3:18].[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:8][CH2:9][CH2:10][CH2:11][CH2:12][CH3:13].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:37].[NH4+:38].[OH2:44]>>[C:19]([CH2:20][CH2:28][c:29]1[cH:30][cH:31][c:32]([C:35]#[N:36])[cH:33][cH:34]1)(=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26]Participants
10
Sources & evidence
- ORD record
- ord-e8353b3941e6442b89f38a58115bf46d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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