1-Ethynyl-2-fluorobenzene → 7-chloro-6-(2-fluoro-phenylethynyl)-3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Reaction equation
[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2.[F:27][c:28]1[c:29]([C:34]#[CH:35])[cH:30][cH:31][cH:32][cH:33]1>>[Cl:1][c:2]1[c:3]([C:35]#[C:34][c:29]2[c:28]([F:27])[cH:33][cH:32][cH:31][cH:30]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2Participants
3
Sources & evidence
- ORD record
- ord-bbd3a1419fa74b1f8584734d51dde555
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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