Citric Acid → HCID 53889827, compound
Reaction equation
[C:9]([CH3:10])(=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16].[CH2:17]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:49]1)[O:24][C:25](=[O:18])[CH:26]([N:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH2:75]([c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH3:82].[CH3:2][CH:3]([N-:4][CH:5]([CH3:6])[CH3:7])[CH3:8].[CH3:63][CH2:64][CH2:65][CH2:66][CH2:67][CH2:68][CH3:69].[Li+:1].[OH2:83].[OH:50][C:51]([CH2:52][C:53]([C:54](=[O:55])[OH:56])([CH2:57][C:58](=[O:59])[OH:60])[OH:61])=[O:62]>>[C:9]([CH2:10][C:25](=[O:24])[CH:26]([N:27]([CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[CH2:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)(=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16]Participants
10
Sources & evidence
- ORD record
- ord-0fa6a06b43cd49b3a30073de76c82de7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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