Ethanol → 2-(5-Amino-2-ethoxyphenyl)-5-methyl-7-(2-ethylheptyl)-3H-imidazo[5,1-f][1,2,4]-triazin-4-one
Reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:13]2[n:14][n:15]3[c:16]([c:17](=[O:19])[nH:18]2)[c:20]([CH3:32])[n:21][c:22]3[CH2:23][CH:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH3:31])[cH:6][c:7]([N+:10]([O-:11])=[O:12])[cH:8][cH:9]1.[CH2:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][CH2:46][OH:47]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:13]2[n:14][n:15]3[c:16]([c:17](=[O:19])[nH:18]2)[c:20]([CH3:32])[n:21][c:22]3[CH2:23][CH:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])[CH2:30][CH3:31])[cH:6][c:7]([NH2:10])[cH:8][cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-cb77b03643dd43d4bf70ac1af660fb35
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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