Ethanol → 1-[(Ethoxyhydroxyphosphoryl)methyl]-7-trifluoromethyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
Reaction equation
[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([O:6][CH2:7][CH3:8])[CH2:9][c:10]1[n:11][n:12][c:13]2[n:14]1[c:15]1[cH:16][cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]1[nH:21][c:22]2=[O:23].[CH3:28][CH2:29][OH:30].[Na+:32].[OH-:31]>>[CH2:1]([CH3:2])[O:3][P:4](=[O:5])([OH:6])[CH2:9][c:10]1[n:11][n:12][c:13]2[n:14]1[c:15]1[cH:16][cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[cH:19][c:20]1[nH:21][c:22]2=[O:23]Participants
5
Sources & evidence
- ORD record
- ord-e4a08b00391a461380a5999c0295c24d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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