Citric Acid → HCID 76550377, compound

HRID 315658Notes

Reaction equation

HRID 315658 reaction equation
[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[Cl:19][c:20]1[c:21]2[c:22]([n:23][cH:24][n:25]1)[n:26](-[c:29]1[c:30]([CH3:35])[n:31][cH:32][cH:33][cH:34]1)[n:27][cH:28]2.[Cl:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][O:14][CH2:15][CH3:16])[OH:17])=[O:18])[n:8][cH:9]1.[H-:1].[Na+:2].[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48]>>[Cl:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]([CH:12]([CH2:13][O:14][CH2:15][CH3:16])[O:17][c:20]2[c:21]3[c:22]([n:23][cH:24][n:25]2)[n:26](-[c:29]2[c:30]([CH3:35])[n:31][cH:32][cH:33][cH:34]2)[n:27][cH:28]3)=[O:18])[n:8][cH:9]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 575045064-chloro-1-(2-methylpyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidineHCID 66813434HCID 66813434, compound

Product 1

HCID 76550377HCID 76550377, compound

Sources & evidence

ORD record
ord-f93259eb03f4427bbf18cefe714a45b2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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