Ammonium → 1,1,1,3,3,3-Hexafluoro-2-((9-isopropyl-6-(pyridine-3-ylmethylamino)-9H-purin-2-ylamino)methyl)propan-2-ol
Reaction equation
[CH2:56]([OH:57])[CH2:58][CH2:59][CH3:60].[CH3:61][S:62]([CH3:63])=[O:64].[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[F:1][c:2]1[n:3][c:4]([NH:14][CH2:15][c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[c:5]2[n:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[n:10]1.[F:45][C:46]([F:47])([F:48])[C:49]1([C:50]([F:51])([F:52])[F:53])[CH2:54][O:55]1.[NH2:31][CH2:32][C:33]([C:34]([F:35])([F:36])[F:37])([C:38]([F:39])([F:40])[F:41])[OH:42].[NH4+:43].[OH-:44]>>[c:2]1([NH:31][CH2:32][C:33]([C:34]([F:35])([F:36])[F:37])([C:38]([F:39])([F:40])[F:41])[OH:42])[n:3][c:4]([NH:14][CH2:15][c:16]2[cH:17][n:18][cH:19][cH:20][cH:21]2)[c:5]2[n:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[n:10]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-2540021801fc4e74bcd8c97e2acf1e4c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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