Sodium ion → 3-Cyclopentyl-7-(2-fluorophenyl)-4-methyl-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)pyrazolo[1,5-d][1,2,4]triazine

HRID 211345Notes

Reaction equation

HRID 211345 reaction equation
[CH3:34][n:35]1[n:36][cH:37][n:38][c:39]1[CH2:40][OH:41].[CH:1]1([c:6]2[c:7]([O:23][S:24]([c:25]3[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]3)(=[O:32])=[O:33])[n:8][n:9]3[c:10](-[c:16]4[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]4)[n:11][n:12][c:13]([CH3:15])[c:14]23)[CH2:2][CH2:3][CH2:4][CH2:5]1.[H-:42].[Na+:43].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44]>>[CH:1]1([c:6]2[c:7]([O:23][CH2:40][c:39]3[n:35]([CH3:34])[n:36][cH:37][n:38]3)[n:8][n:9]3[c:10](-[c:16]4[c:17]([F:22])[cH:18][cH:19][cH:20][cH:21]4)[n:11][n:12][c:13]([CH3:15])[c:14]23)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 11073377(1-methyl-1H-1,2,4-triazol-5-yl)methanolHCID 86587508Toluene-4-sulfonic acid 3-cyclopentyl-7-(2-fluorophenyl)-4-methylpyrazolo[1,5-d][1,2,4]triazin-2-yl ester

Product 1

HCID 102948213-Cyclopentyl-7-(2-fluorophenyl)-4-methyl-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)pyrazolo[1,5-d][1,2,4]triazine

Sources & evidence

ORD record
ord-61af6a2558a64e7b9d08dd9029329ef3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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