Citric Acid → HCID 19796318, compound

HRID 2156807Notes

Reaction equation

HRID 2156807 reaction equation
[C:71](=[O:72])([OH:73])[O-:74].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([C:18]([CH:19]([NH:20][S:21](=[O:22])(=[O:23])[c:24]2[c:25]3[cH:26][cH:27][n:28][cH:29][c:30]3[cH:31][cH:32][cH:33]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([O:41][S:42]([c:43]3[c:44]4[cH:45][cH:46][n:47][cH:48][c:49]4[cH:50][cH:51][cH:52]3)(=[O:53])=[O:54])[cH:39][cH:40]2)=[O:55])[CH2:15][CH2:16][CH2:17]1.[CH3:76][OH:77].[Na+:57].[Na+:75].[O:78]1[CH2:79][CH2:80][CH2:81][CH2:82]1.[OH-:56].[OH:58][C:59]([CH2:60][C:61]([C:62](=[O:63])[OH:64])([CH2:65][C:66](=[O:67])[OH:68])[OH:69])=[O:70]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH2:13][N:14]([C:18]([CH:19]([NH:20][S:21](=[O:22])(=[O:23])[c:24]2[c:25]3[cH:26][cH:27][n:28][cH:29][c:30]3[cH:31][cH:32][cH:33]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([OH:41])[cH:39][cH:40]2)=[O:55])[CH2:15][CH2:16][CH2:17]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 8028TetrahydrofuranHCID 19796352HCID 19796352, compound

Product 1

HCID 19796318HCID 19796318, compound

Sources & evidence

ORD record
ord-83227ddf63214ade93632c2ee07c0435
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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