Sodium ion → 1-[2-[1-(4-Fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]-4-(hydroxymethyl)piperidin-4-ol
Reaction equation
[CH2:80]1[O:81][CH2:82][CH2:83][O:84][CH2:85]1.[CH3:68][C:69]([CH3:70])([O-:71])[CH3:72].[CH3:74][CH2:75][O:76][C:77](=[O:78])[CH3:79].[CH3:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH:34]1([P:35]([CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2-[c:48]2[c:49]([CH:50]([CH3:51])[CH3:52])[cH:53][c:54]([CH:55]([CH3:56])[CH3:57])[cH:58][c:59]2[CH:60]([CH3:61])[CH3:62])[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1.[Cl:1][c:2]1[cH:3][c:4]([N:18]2[CH2:19][CH2:20][C:21]([OH:24])([CH2:25][OH:26])[CH2:22][CH2:23]2)[n:5][c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[n:7]1.[NH2:27][c:28]1[n:29][cH:30][cH:31][n:32][cH:33]1.[Na+:73]>>[c:2]1([NH:27][c:28]2[n:29][cH:30][cH:31][n:32][cH:33]2)[cH:3][c:4]([N:18]2[CH2:19][CH2:20][C:21]([OH:24])([CH2:25][OH:26])[CH2:22][CH2:23]2)[n:5][c:6]([NH:8][CH:9]([CH3:10])[c:11]2[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]2)[n:7]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-33204e50671c426abad3fcf81cc1cba2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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