Citric Acid → HCID 58903158, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][CH2:4][CH:5]([O:6][c:7]1[cH:8][c:9]([CH3:36])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][O:21][c:22]3[cH:23][c:24]([F:35])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1)[CH2:37][O:38][CH2:39][CH3:40].[CH3:57][CH2:58][OH:59].[Na+:42].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1.[OH-:41].[OH2:43].[OH:44][C:45]([CH2:46][C:47]([C:48](=[O:49])[OH:50])([CH2:51][C:52](=[O:53])[OH:54])[OH:55])=[O:56]>>[CH2:1]([CH3:2])[O:3][CH2:4][CH:5]([O:6][c:7]1[cH:8][c:9]([CH3:36])[c:10](-[c:14]2[cH:15][c:16]([CH2:20][O:21][c:22]3[cH:23][c:24]([F:35])[c:25]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:26][cH:27]3)[cH:17][cH:18][cH:19]2)[c:11]([CH3:13])[cH:12]1)[CH2:37][O:38][CH2:39][CH3:40]Participants
8
Sources & evidence
- ORD record
- ord-048a824fee144b5e85a2df1a41a2f3b0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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