Citric Acid → HCID 73678513, compound
Reaction equation
[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[O:25][N:26]=[C:27]1[C:28]2=[CH:29][C:30](=[O:59])[CH:31]([CH3:58])[CH:32]([CH2:44][CH2:45][CH:46]([CH2:47][CH:48]([CH2:49][C:50](=[O:51])[O:52][CH2:53][CH:54]=[CH2:55])[OH:56])[OH:57])[CH:33]2[CH:34]([O:37][C:38]([CH:39]([CH2:40][CH3:41])[CH3:42])=[O:43])[CH2:35][CH2:36]1.[CH3:14][S:15](=[O:16])[CH3:17].[CH3:60][CH2:61][N:62]([CH2:63][CH3:64])[CH2:65][CH3:66].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[F:1][C:2]([F:3])([F:4])[C:5]([O:6][C:7](=[O:8])[C:9]([F:10])([F:11])[F:12])=[O:13].[OH:67][C:68]([CH2:69][C:70]([C:71](=[O:72])[OH:73])([CH2:74][C:75](=[O:76])[OH:77])[OH:78])=[O:79]>>[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[O:25][N:26]=[C:27]1[C:28]2=[CH:29][C:30](=[O:59])[CH:31]([CH3:58])[CH:32]([CH2:44][CH2:45][C:46]([CH2:47][CH:48]([CH2:49][C:50](=[O:51])[O:52][CH2:53][CH:54]=[CH2:55])[OH:56])=[O:57])[CH:33]2[CH:34]([O:37][C:38]([CH:39]([CH2:40][CH3:41])[CH3:42])=[O:43])[CH2:35][CH2:36]1Participants
7
Sources & evidence
- ORD record
- ord-07f66dd5c5ce4c7fb3c539af85ff69fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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