Ethanol → 2-(5-Amino-2-propoxyphenyl)-5-methyl-7-cyclopentyl-3H-imidazo[5,1-f][1,2,4]-triazin-4-one
Reaction equation
[CH2:30]([OH:31])[CH3:32].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([O:26][CH2:27][CH2:28][CH3:29])[c:8](-[c:10]2[n:11][n:12]3[c:13]([c:14](=[O:16])[nH:15]2)[c:17]([CH3:25])[n:18][c:19]3[CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:9]1.[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([O:26][CH2:27][CH2:28][CH3:29])[c:8](-[c:10]2[n:11][n:12]3[c:13]([c:14](=[O:16])[nH:15]2)[c:17]([CH3:25])[n:18][c:19]3[CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:9]1Participants
4
Sources & evidence
- ORD record
- ord-c1ceb63eee874f1bb44ca672e38e07ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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