Sodium ion → 2-({5-[3-(Dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-9-(trifluoromethyl)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione
Reaction equation
[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][c:8]([NH:13][c:14]2[n:15][cH:16][c:17]3[c:23]([n:24]2)-[c:22]2[c:21]([cH:28][c:27]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:25]2)[NH:20][C:19](=[O:33])[CH2:18]3)[c:9]([CH3:12])[n:10][cH:11]1)[CH3:34].[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60].[OH2:61].[P:35]12(=[S:36])[S:37][P:38]3(=[S:48])[S:39][P:40](=[S:46])([S:41][P:42](=[S:45])([S:43]3)[S:44]1)[S:47]2.[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][c:8]([NH:13][c:14]2[n:15][cH:16][c:17]3[c:23]([n:24]2)-[c:22]2[c:21]([cH:28][c:27]([C:29]([F:30])([F:31])[F:32])[cH:26][cH:25]2)[NH:20][C:19](=[S:36])[CH2:18]3)[c:9]([CH3:12])[n:10][cH:11]1)[CH3:34]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-8aa91188ab6c45ec89a1e1603a8c3208
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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