Amantadine → Methyl 4-[4-(1-adamantylcarbamoyl)-5-propylsulfanyl-pyrazol-1-yl]benzoate
Reaction equation
[C:23]12([NH2:33])[CH2:24][CH:25]3[CH2:26][CH:27]([CH2:28][CH:29]([CH2:30]1)[CH2:31]3)[CH2:32]2.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][cH:13][c:14]([C:20](=[O:21])[OH:22])[c:15]2[S:16][CH2:17][CH2:18][CH3:19])[cH:9][cH:10]1.[CH3:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH2:59][CH2:60][N:61]([CH3:62])[CH3:63].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][cH:13][c:14]([C:20](=[O:22])[NH:33][C:23]34[CH2:24][CH:25]5[CH2:26][CH:27]([CH2:28][CH:29]([CH2:30]3)[CH2:31]5)[CH2:32]4)[c:15]2[S:16][CH2:17][CH2:18][CH3:19])[cH:9][cH:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-470097a8e5a24fd7a8040774e3691e98
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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