Citric Acid → HCID 57504515, compound

HRID 1554725Notes

Reaction equation

HRID 1554725 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[Cl:15][c:16]1[c:17]2[c:18]([n:19][cH:20][n:21]1)[n:22](-[c:25]1[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]1)[n:23][cH:24]2.[H-:1].[Na+:2].[OH:32][C:33]([CH2:34][C:35]([C:36](=[O:37])[OH:38])([CH2:39][C:40](=[O:41])[OH:42])[OH:43])=[O:44].[OH:3][CH:4]([C:5](=[O:6])[O:7][CH3:8])[CH2:9][CH2:10][S:11](=[O:12])(=[O:13])[CH3:14]>>[O:3]([CH:4]([C:5](=[O:6])[O:7][CH3:8])[CH2:9][CH2:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:16]1[c:17]2[c:18]([n:19][cH:20][n:21]1)[n:22](-[c:25]1[c:26]([Cl:31])[cH:27][cH:28][cH:29][cH:30]1)[n:23][cH:24]2

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 112655704-Chloro-1-(2-chlorophenyl)-1H-pyrazolo[3,4-D]pyrimidineHCID 57453772HCID 57453772, compound

Product 1

HCID 57504515HCID 57504515, compound

Sources & evidence

ORD record
ord-2d89b8ab87c34ebdb2c4e64c6169e64f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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