Benzene → t-Butyl 4-(2-(2-cyano-1-cyclopentanon-3-yl)ethyl]benzoate
Reaction equation
[Br:34][CH2:35][CH2:36][c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[cH:48][cH:49]1.[C:1](#[N:2])[C:3]1=[CH:7][CH2:6][CH2:5][C:4]1=[O:8].[CH2:21]([SnH:22]([CH2:23][CH2:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH3:33].[N:9]#[C:10][C:11]([N:12]=[N:13][C:14]([C:15]#[N:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20].[cH:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[C:1](#[N:2])[CH:3]1[C:4](=[O:8])[CH2:5][CH2:6][CH:7]1[CH2:35][CH2:36][c:37]1[cH:38][cH:39][c:40]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[cH:48][cH:49]1Participants
6
Sources & evidence
- ORD record
- ord-92e87ddf82de4bc59c4da0cd6b56ab72
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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