Ethanol → 3-(4-t-butylphenyl)-1-(4-cyanophenyl)-4-(N-ethoxycarbonylmethyloxyethyl-N-methyl-aminocarbonyl)-2-methyl-2H-pyrazol-5-one
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][CH2:10][CH2:11][N:12]([C:13](=[O:14])[c:15]1[c:16](-[c:30]2[cH:31][cH:32][c:33]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:34][cH:35]2)[n:17]([CH3:29])[n:18](-[c:21]2[cH:22][cH:23][c:24]([C:27]#[N:28])[cH:25][cH:26]2)[c:19]1=[O:20])[CH3:40].[CH3:46][CH2:47][OH:48].[S:41](=[O:42])(=[O:43])([OH:44])[OH:45]>>[CH2:1]([CH3:2])[O:5][C:6](=[O:7])[CH2:8][O:9][CH2:10][CH2:11][N:12]([C:13](=[O:14])[c:15]1[c:16](-[c:30]2[cH:31][cH:32][c:33]([C:36]([CH3:37])([CH3:38])[CH3:39])[cH:34][cH:35]2)[n:17]([CH3:29])[n:18](-[c:21]2[cH:22][cH:23][c:24]([C:27]#[N:28])[cH:25][cH:26]2)[c:19]1=[O:20])[CH3:40]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-0c5a1c57c01f481d92349154fe98c545
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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