Ethanol → 3-(Tert-amylamino)-4-(2-hydroxy-4-cyanophenyl)amino-3-cyclobutene-1,2-dione
Reaction equation
[C:20]([CH3:21])([CH3:22])([CH2:23][CH3:24])[NH2:25].[CH2:1]([O:2][c:4]1[c:5](=[O:19])[c:6](=[O:18])[c:7]1[NH:8][c:9]1[c:10]([OH:17])[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1)[CH3:3].[CH3:26][CH2:27][OH:28].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40]>>[c:4]1([NH:25][C:20]([CH3:21])([CH3:22])[CH2:23][CH3:24])[c:5](=[O:19])[c:6](=[O:18])[c:7]1[NH:8][c:9]1[c:10]([OH:17])[cH:11][c:12]([C:15]#[N:16])[cH:13][cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-80caab37190b438d873ce0944e4e20cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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