Ethanol → HCID 68702734, compound
Reaction equation
[CH2:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[CH3:31][CH2:32][OH:33].[F:12][C:13]([c:14]1[cH:15][cH:16][c:17]([CH2:20][C:21]#[N:22])[cH:18][n:19]1)([F:23])[F:24].[O:1]=[CH:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([OH:9])[cH:10][cH:11]1>>[CH:2]([c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([OH:9])[cH:10][cH:11]1)=[C:20]([c:17]1[cH:16][cH:15][c:14]([C:13]([F:12])([F:23])[F:24])[n:19][cH:18]1)[C:21]#[N:22]Participants
5
Sources & evidence
- ORD record
- ord-1f47ee6cba474789a37f7af793bca61c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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