Water → 5-amino-1-(5-cyclopropylcarbamoyl-2-methylphenyl)-1H-pyrazole-4-carboxylic acid (2-methylcyclohexyl)-amide
Reaction equation
[CH3:23][CH:24]1[CH:25]([NH2:30])[CH2:26][CH2:27][CH2:28][CH2:29]1.[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[NH2:1][c:2]1[c:3]([C:20](=[O:21])[OH:22])[cH:4][n:5][n:6]1-[c:7]1[c:8]([CH3:19])[cH:9][cH:10][c:11]([C:13]([NH:14][CH:15]2[CH2:16][CH2:17]2)=[O:18])[cH:12]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1>>[NH2:1][c:2]1[c:3]([C:20](=[O:22])[NH:30][CH:25]2[CH:24]([CH3:23])[CH2:29][CH2:28][CH2:27][CH2:26]2)[cH:4][n:5][n:6]1-[c:7]1[c:8]([CH3:19])[cH:9][cH:10][c:11]([C:13]([NH:14][CH:15]2[CH2:16][CH2:17]2)=[O:18])[cH:12]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-45638481251049acbe632eaae4f45343
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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