Acetic Acid → 2-Cyano-4,4,8-trimethyl-non-2-enoic acid benzyl ester
Reaction equation
[C:18](#[N:19])[CH2:20][C:21](=[O:22])[O:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH2:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1.[CH3:1][C:2]([CH:3]=[O:4])([CH2:5][CH2:6][CH2:7][CH:8]([CH3:9])[CH3:10])[CH3:11].[CH3:31][C:32](=[O:33])[OH:34].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[ClH:35]>>[CH3:1][C:2]([CH:3]=[C:20]([C:18]#[N:19])[C:21](=[O:22])[O:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)([CH2:5][CH2:6][CH2:7][CH:8]([CH3:9])[CH3:10])[CH3:11]Participants
7
Sources & evidence
- ORD record
- ord-e048d2b7e6ec447b96949a59a42ec86e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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