Sodium ion → (3,5-Bis-trifluoromethyl-benzyl)-{2-[ethoxy-(tetrahydro-pyran-4-yl)-methyl]-5-trifluoromethyl-benzyl}-(2-methyl-2H-tetrazol-5-yl)-amine

HRID 2148872Notes

Reaction equation

HRID 2148872 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([CH:25]([OH:26])[CH:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41].[H-:42].[I:49][CH2:50][CH3:51].[Na+:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([CH:25]([O:26][CH2:50][CH3:51])[CH:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1)([F:40])[F:41]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 6340IodoethaneHCID 8028TetrahydrofuranHCID 166653HydrideHCID 58968611(2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)(tetrahydro-2H-pyran-4-yl)methanol

Product 1

HCID 58968677(3,5-Bis-trifluoromethyl-benzyl)-{2-[ethoxy-(tetrahydro-pyran-4-yl)-methyl]-5-trifluoromethyl-benzyl}-(2-methyl-2H-tetrazol-5-yl)-amine

Sources & evidence

ORD record
ord-8e2aaaabe1fb44ca9aeb9306d9057b85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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