Citric Acid → N-(5-cyano-2-pyridinyl)-3-ethoxy-2-[1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide

HRID 1556845Notes

Reaction equation

HRID 1556845 reaction equation
[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH:13]([CH2:14][O:15][CH2:16][CH3:17])[OH:18])=[O:19])[n:9][cH:10]1.[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[Cl:20][c:21]1[c:22]2[c:23]([n:24][cH:25][n:26]1)[n:27](-[c:30]1[c:31]([C:36]([F:37])([F:38])[F:39])[cH:32][cH:33][cH:34][cH:35]1)[n:28][cH:29]2.[H-:1].[Na+:2].[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[C:3](#[N:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][C:12]([CH:13]([CH2:14][O:15][CH2:16][CH3:17])[O:18][c:21]2[c:22]3[c:23]([n:24][cH:25][n:26]2)[n:27](-[c:30]2[c:31]([C:36]([F:37])([F:38])[F:39])[cH:32][cH:33][cH:34][cH:35]2)[n:28][cH:29]3)=[O:19])[n:9][cH:10]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 114834004-chloro-1-(2-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidineHCID 66813377N-(5-cyano-2-pyridinyl)-3-ethoxy-2-hydroxypropanamide

Product 1

HCID 76550367N-(5-cyano-2-pyridinyl)-3-ethoxy-2-[1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypropanamide

Sources & evidence

ORD record
ord-3c8ab18acea342f59f6ab0310f8f23ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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