4,4,4-Trifluoro-but-2-enoic acid → HCID 67012040, compound
Reaction equation
[CH:10]1([CH2:13][CH2:14][NH:15][C:16](=[O:17])[c:18]2[n:19][n:20][c:21]([N:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)[cH:22][cH:23]2)[CH2:11][CH2:12]1.[F:1][C:2]([CH:3]=[CH:4][C:5](=[O:6])[OH:7])([F:8])[F:9]>>[F:1][C:2]([CH:3]=[CH:4][C:5](=[O:6])[N:27]1[CH2:26][CH2:25][N:24]([c:21]2[n:20][n:19][c:18]([C:16]([NH:15][CH2:14][CH2:13][CH:10]3[CH2:11][CH2:12]3)=[O:17])[cH:23][cH:22]2)[CH2:29][CH2:28]1)([F:8])[F:9]Participants
3
Sources & evidence
- ORD record
- ord-8ba37bc5121945d0a0afa0e024b54a0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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