Citric Acid → HCID 16719111, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[cH:8][c:9]2[n:10][c:11]([O:24][CH3:25])[cH:12][cH:13][c:14]2[n:15]1[CH2:16][c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1)([CH3:26])[CH3:27])=[O:28].[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:29][OH:30].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Li+:32].[OH-:31].[OH2:57].[OH:33][C:34]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH2:40][C:41](=[O:42])[OH:43])[OH:44])=[O:45]>>[O:3]=[C:4]([C:5]([CH2:6][c:7]1[cH:8][c:9]2[n:10][c:11]([O:24][CH3:25])[cH:12][cH:13][c:14]2[n:15]1[CH2:16][c:17]1[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]1)([CH3:26])[CH3:27])[OH:28]Participants
9
Sources & evidence
- ORD record
- ord-22bab733b0214673a47ebd3f9e7c3a5b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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