Acetonitrile → 5-(3-Trifluoromethoxy-phenyl)-pent-4-ynoic acid benzyl ester
Reaction equation
[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][C:21]([CH2:22][CH2:23][C:24]#[CH:25])=[O:26].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][C:36]#[N:37].[I-:27].[I:1][c:2]1[cH:3][c:4]([O:8][C:9]([F:10])([F:11])[F:12])[cH:5][cH:6][cH:7]1>>[c:2]1([C:25]#[C:24][CH2:23][CH2:22][C:21]([O:20][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:26])[cH:3][c:4]([O:8][C:9]([F:10])([F:11])[F:12])[cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-3df37b39ae1543318029eed4f25ac4ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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