Sodium ion → 9-[(4-fluorophenyl)methyl]-8-[[1-(phenylmethyl)-4-piperidinyl]oxy]-9H-purine
Reaction equation
[CH3:17][N:18]([CH3:19])[C:20](=[O:21])[CH3:22].[F:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][n:31]2[c:32]3[n:33][cH:34][n:35][cH:36][c:37]3[n:38][c:39]2[S:40][CH3:41])[cH:28][cH:29]1.[H-:15].[Na+:16].[OH2:42].[c:1]1([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([OH:14])[CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([O:14][c:39]3[n:31]([CH2:30][c:27]4[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]4)[c:32]4[n:33][cH:34][n:35][cH:36][c:37]4[n:38]3)[CH2:12][CH2:13]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
7
Sources & evidence
- ORD record
- ord-e212797e32bb4003914fd1c3440947ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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