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

HRID 201023Notes

Reaction equation

HRID 201023 reaction equation
[CH2:34]([CH3:35])[n:36]1[n:37][cH:38][n:39][c:40]1[CH2:41][OH:42].[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-:43].[Na+:44].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45]>>[CH:1]1([c:6]2[c:7]([O:23][CH2:41][c:40]3[n:36]([CH2:34][CH3:35])[n:37][cH:38][n:39]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 11412385(1-ethyl-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 102239653-Cyclopentyl-2-(2-ethyl-2H-[1,2,4]triazol-3-ylmethoxy)-7-(2-fluorophenyl)-4-methylpyrazolo[1,5-d][1,2,4]triazine

Sources & evidence

ORD record
ord-130e772d0bab4879a7cc0e9de71f4f2d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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