Citric Acid → HCID 23157411, compound

HRID 188606Notes

Reaction equation

HRID 188606 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][NH:20][c:21]3[cH:22][c:23]([F:34])[c:24]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[cH:25][cH:26]3)[cH:35][cH:36]2)[c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1.[CH3:53][OH:54].[Na+:38].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH-:37].[OH2:39].[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[n:6][n:7]([CH2:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][NH:20][c:21]3[cH:22][c:23]([F:34])[c:24]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[cH:25][cH:26]3)[cH:35][cH:36]2)[c:8]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:9]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 23157686HCID 23157686, compound

Product 1

HCID 23157411HCID 23157411, compound

Sources & evidence

ORD record
ord-02517d108db04fd3ba8c5c3d920329b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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