Citric Acid → HCID 178519086, compound

HRID 2309996Notes

Reaction equation

HRID 2309996 reaction equation
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[Cl:10][c:11]1[c:12]2[c:13]([n:14][cH:15][n:16]1)[n:17](-[c:20]1[n:21][cH:22][cH:23][cH:24][c:25]1[Cl:26])[n:18][cH:19]2.[H-:1].[Na+:2].[OH:27][C:28]([CH2:29][C:30]([C:31](=[O:32])[OH:33])([CH2:34][C:35](=[O:36])[OH:37])[OH:38])=[O:39].[OH:3][CH:4]1[C:5](=[O:9])[O:6][CH2:7][CH2:8]1>>[O:3]([CH:4]1[C:5](=[O:9])[O:6][CH2:7][CH2:8]1)[c:11]1[c:12]2[c:13]([n:14][cH:15][n:16]1)[n:17](-[c:20]1[n:21][cH:22][cH:23][cH:24][c:25]1[Cl:26])[n:18][cH:19]2

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 545831alpha-Hydroxy-gamma-butyrolactoneHCID 575044824-Chloro-1-(3-chloropyridin-2-YL)-1H-pyrazolo[3,4-D]pyrimidine

Product 1

HCID 178519086HCID 178519086, compound

Sources & evidence

ORD record
ord-1e7fda4402d842f0977ef8c8eb4bd7a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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