Citric Acid → HCID 178444123, compound
Reaction equation
[CH3:104][OH:105].[CH:1]([CH3:2])([CH2:3][CH3:4])[CH:5]([NH:6][CH3:7])[C:8]([NH:9][CH:10]([C:11]([N:12]([CH:13]([C:14]([NH:15][CH:16]([C:17]([NH:18][CH:19]([C:20]([N:21]([CH:22]([C:23]([NH:24][CH:25]([C:26]([N:27]([CH:28]([C:29]([N:30]([CH:31]([C:32]([NH:33][CH:34]([C:35]([N:36]([CH2:37][C:38](=[O:39])[O:40][CH3:41])[CH3:42])=[O:43])[CH:44]([CH3:45])[OH:46])=[O:47])[CH:48]([CH:49]([CH2:50][CH:51]=[CH:52][CH3:53])[CH3:54])[OH:55])[CH3:56])=[O:57])[CH:58]([CH3:59])[CH3:60])[CH3:61])=[O:62])[CH2:63][CH:64]([CH3:65])[CH3:66])=[O:67])[CH2:68][CH:69]([CH3:70])[CH3:71])[CH3:72])=[O:73])[CH3:74])=[O:75])[CH3:76])=[O:77])[CH2:78][CH:79]([CH3:80])[CH3:81])[CH3:82])=[O:83])[CH2:84][CH:85]([CH3:86])[CH3:87])=[O:88].[Li+:90].[OH-:89].[OH:91][C:92]([CH2:93][C:94]([C:95](=[O:96])[OH:97])([CH2:98][C:99](=[O:100])[OH:101])[OH:102])=[O:103]>>[CH:1]([CH3:2])([CH2:3][CH3:4])[CH:5]([NH:6][CH3:7])[C:8]([NH:9][CH:10]([C:11]([N:12]([CH:13]([C:14]([NH:15][CH:16]([C:17]([NH:18][CH:19]([C:20]([N:21]([CH:22]([C:23]([NH:24][CH:25]([C:26]([N:27]([CH:28]([C:29]([N:30]([CH:31]([C:32]([NH:33][CH:34]([C:35]([N:36]([CH2:37][C:38](=[O:39])[OH:40])[CH3:42])=[O:43])[CH:44]([CH3:45])[OH:46])=[O:47])[CH:48]([CH:49]([CH2:50][CH:51]=[CH:52][CH3:53])[CH3:54])[OH:55])[CH3:56])=[O:57])[CH:58]([CH3:59])[CH3:60])[CH3:61])=[O:62])[CH2:63][CH:64]([CH3:65])[CH3:66])=[O:67])[CH2:68][CH:69]([CH3:70])[CH3:71])[CH3:72])=[O:73])[CH3:74])=[O:75])[CH3:76])=[O:77])[CH2:78][CH:79]([CH3:80])[CH3:81])[CH3:82])=[O:83])[CH2:84][CH:85]([CH3:86])[CH3:87])=[O:88]Participants
6
Sources & evidence
- ORD record
- ord-85fc5b4ed2a14051aadaccf393fd82a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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