Citric Acid → HCID 23111681, compound

HRID 690093Notes

Reaction equation

HRID 690093 reaction equation
[CH3:40][CH2:41][OH:42].[Na+:44].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[OH-:43].[OH2:58].[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57].[c:1]1(-[c:7]2[n:8][c:9]([N:12]([CH2:13][CH2:14][CH3:15])[CH2:16][c:17]3[cH:18][cH:19][c:20]([CH2:21][O:22][c:23]4[cH:24][c:25]5[c:29]([cH:30][cH:31]4)[CH:28]([CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH2:27][CH2:26]5)[cH:38][cH:39]3)[s:10][cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([N:12]([CH2:13][CH2:14][CH3:15])[CH2:16][c:17]3[cH:18][cH:19][c:20]([CH2:21][O:22][c:23]4[cH:24][c:25]5[c:29]([cH:30][cH:31]4)[CH:28]([CH2:32][C:33](=[O:34])[OH:35])[CH2:27][CH2:26]5)[cH:38][cH:39]3)[s:10][cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 58755267HCID 58755267, compound

Product 1

HCID 23111681HCID 23111681, compound

Sources & evidence

ORD record
ord-b7eeaf58586943cbb1dc34fa44188fd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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