Citric Acid → HCID 76550467, compound

HRID 1564249Notes

Reaction equation

HRID 1564249 reaction equation
[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH:3]1([O:7][CH2:8][CH:9]([C:10](=[O:11])[NH:12][c:13]2[n:14][cH:15][c:16]([CH3:19])[n:17][cH:18]2)[OH:20])[CH2:4][CH2:5][CH2:6]1.[Cl:21][c:22]1[c:23]2[c:24]([n:25][cH:26][n:27]1)[n:28](-[c:31]1[n:32][cH:33][c:34]([Cl:41])[cH:35][c:36]1[C:37]([F:38])([F:39])[F:40])[n:29][cH:30]2.[H-:1].[Na+:2].[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54]>>[CH:3]1([O:7][CH2:8][CH:9]([C:10](=[O:11])[NH:12][c:13]2[n:14][cH:15][c:16]([CH3:19])[n:17][cH:18]2)[O:20][c:22]2[c:23]3[c:24]([n:25][cH:26][n:27]2)[n:28](-[c:31]2[n:32][cH:33][c:34]([Cl:41])[cH:35][c:36]2[C:37]([F:38])([F:39])[F:40])[n:29][cH:30]3)[CH2:4][CH2:5][CH2:6]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 575045004-chloro-1-(5-chloro-3-(trifluoromethyl)pyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidineHCID 66813414HCID 66813414, compound

Product 1

HCID 76550467HCID 76550467, compound

Sources & evidence

ORD record
ord-85b5b0b49f974290b6e767ec946cedd4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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