Ammonium → 4-(N-t-butyloxycarbonylmethyloxyethyl-N-methyl-aminocarbonyl)-3-(4-t-butylphenyl)-1-(4-cyanophenyl)-2-methyl-2H-pyrazol-5-one
Reaction equation
[Br:33][CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12]([CH3:32])[n:13](-[c:24]3[cH:25][cH:26][c:27]([C:30]#[N:31])[cH:28][cH:29]3)[c:14](=[O:23])[c:15]2[C:16](=[O:17])[N:18]([CH3:19])[CH2:20][CH2:21][OH:22])[cH:9][cH:10]1.[Cl-:44].[H-:42].[NH4+:45].[Na+:43].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12]([CH3:32])[n:13](-[c:24]3[cH:25][cH:26][c:27]([C:30]#[N:31])[cH:28][cH:29]3)[c:14](=[O:23])[c:15]2[C:16](=[O:17])[N:18]([CH3:19])[CH2:20][CH2:21][O:22][CH2:34][C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[cH:9][cH:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-62be7626a4e740bdb3c8b9c8eb0e9d26
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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