Hydrochloric Acid → Methyl 4-[4-(2-adamantylcarbamoyl)-5-cyclopentylsulfanyl-pyrazol-1-yl]benzoate
Reaction equation
[CH2:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])[CH3:67].[CH3:2][N:3]([CH3:4])[CH2:5][CH2:6][CH2:7][N:8]=[C:9]=[N:10][CH2:11][CH3:12].[CH:13]1([S:18][c:19]2[c:20]([C:34](=[O:35])[OH:36])[cH:21][n:22][n:23]2-[c:24]2[cH:25][cH:26][c:27]([C:30](=[O:31])[O:32][CH3:33])[cH:28][cH:29]2)[CH2:14][CH2:15][CH2:16][CH2:17]1.[CH:38]12[CH:39]([NH2:48])[CH:40]3[CH2:41][CH:42]([CH2:43][CH:44]([CH2:45]1)[CH2:46]3)[CH2:47]2.[ClH:1].[ClH:37].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH:13]1([S:18][c:19]2[c:20]([C:34](=[O:35])[NH:48][CH:39]3[CH:38]4[CH2:45][CH:44]5[CH2:43][CH:42]([CH2:41][CH:40]3[CH2:46]5)[CH2:47]4)[cH:21][n:22][n:23]2-[c:24]2[cH:25][cH:26][c:27]([C:30](=[O:31])[O:32][CH3:33])[cH:28][cH:29]2)[CH2:14][CH2:15][CH2:16][CH2:17]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-92cded7c49314e72abe3f46f5b83d307
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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