Citric Acid → HCID 178489405, compound

HRID 2335908Notes

Reaction equation

HRID 2335908 reaction equation
[Cl:63][CH2:64][Cl:65].[K+:42].[Na+:56].[Na+:57].[O-:58][S:59](=[O:60])(=[O:61])[O-:62].[OH-:41].[OH:1][c:2]1[c:3]([C:33](=[O:34])[N:35]2[CH2:36][CH2:37][O:38][CH2:39][CH2:40]2)[cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[n:14]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[n:15][c:16]3-[c:17]2[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1.[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[OH:1][c:2]1[c:3]([C:33](=[O:34])[N:35]2[CH2:36][CH2:37][O:38][CH2:39][CH2:40]2)[cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12][cH:13]2)[nH:14][n:15][c:16]3-[c:17]2[c:18]([O:23][CH3:24])[cH:19][cH:20][cH:21][cH:22]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 813Potassium CationHCID 923Sodium ion2×HCID 961HydroxideHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 68617729{2-hydroxy-5-[3-(2-methoxy-phenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-morpholin-4-yl-methanone

Product 1

HCID 178489405HCID 178489405, compound

Sources & evidence

ORD record
ord-f3642bc4f5744b19b90153dbfbfd7a98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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