Sodium ion → N-cyclopentyl-8-(2-fluoro-4-pyridinyl)-2-(methylsulfanyl)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Reaction equation
[Br:1][c:2]1[c:3](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:4][n:5]2[c:6]1[n:7][c:8]([S:17][CH3:18])[n:9][c:10]2[NH:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[F:31][c:32]1[n:33][cH:34][cH:35][c:36]([B:38]([OH:39])[OH:40])[cH:37]1.[Na+:25].[Na+:26].[O-:27][C:28](=[O:29])[O-:30].[OH2:41]>>[c:2]1(-[c:36]2[cH:35][cH:34][n:33][c:32]([F:31])[cH:37]2)[c:3](-[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[n:4][n:5]2[c:6]1[n:7][c:8]([S:17][CH3:18])[n:9][c:10]2[NH:11][CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-6734262e5b2e4891b6cfc8df8d405a4b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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