Citric Acid → HCID 76550383, compound

HRID 1129787Notes

Reaction equation

HRID 1129787 reaction equation
[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[H-:1].[Na+:2].[O:20]([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[c:27]1[c:28]2[c:29]([n:30][cH:31][n:32]1)[n:33](-[c:36]1[c:37]([C:42]([F:43])([F:44])[F:45])[cH:38][cH:39][cH:40][cH:41]1)[n:34][cH:35]2.[OH:3][CH:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]1)[CH2:15][O:16][CH:17]([CH3:18])[CH3:19].[OH:46][C:47]([CH2:48][C:49]([C:50](=[O:51])[OH:52])([CH2:53][C:54](=[O:55])[OH:56])[OH:57])=[O:58]>>[O:3]([CH:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][cH:10][c:11]([CH3:14])[cH:12][cH:13]1)[CH2:15][O:16][CH:17]([CH3:18])[CH3:19])[c:27]1[c:28]2[c:29]([n:30][cH:31][n:32]1)[n:33](-[c:36]1[c:37]([C:42]([F:43])([F:44])[F:45])[cH:38][cH:39][cH:40][cH:41]1)[n:34][cH:35]2

Participants

7

Reactant 6

HCID 311Citric AcidHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 166653HydrideHCID 575045144-phenoxy-1-(2-(trifluoromethyl)phenyl)-1H-pyrazolo[3,4-d]pyrimidineHCID 66813153HCID 66813153, compound

Product 1

HCID 76550383HCID 76550383, compound

Sources & evidence

ORD record
ord-45461cd6d20645859527f10072eb3815
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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