Citric Acid → HCID 9829919, compound

HRID 142413Notes

Reaction equation

HRID 142413 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][CH:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([C:19](=[O:20])[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:16][CH2:17][CH2:18]2)[N:29]([S:30](=[O:31])(=[O:32])[c:33]2[c:34]3[cH:35][cH:36][n:37][cH:38][c:39]3[cH:40][cH:41][cH:42]2)[CH3:43])[cH:44][cH:45]1.[C:61](=[O:62])([OH:63])[O-:64].[CH3:66][OH:67].[Na+:47].[Na+:65].[OH-:46].[OH:48][C:49]([CH2:50][C:51]([C:52](=[O:53])[OH:54])([CH2:55][C:56](=[O:57])[OH:58])[OH:59])=[O:60]>>[OH:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][CH:10]([CH2:11][N:12]2[CH2:13][CH2:14][N:15]([C:19](=[O:20])[O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[CH2:16][CH2:17][CH2:18]2)[N:29]([S:30](=[O:31])(=[O:32])[c:33]2[c:34]3[cH:35][cH:36][n:37][cH:38][c:39]3[cH:40][cH:41][cH:42]2)[CH3:43])[cH:44][cH:45]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 19796310HCID 19796310, compound

Product 1

HCID 9829919HCID 9829919, compound

Sources & evidence

ORD record
ord-71c5fa9d863c4c2eaa7d51a0579d6b55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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