Citric Acid → HCID 16049866, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[c:8]([C:26]([CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[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)([CH3:33])[CH3:34])=[O:35].[CH3:51][C:52]#[N:53].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Li+:37].[OH-:36].[OH2:60].[OH:38][C:39]([CH2:40][C:41]([C:42](=[O:43])[OH:44])([CH2:45][C:46](=[O:47])[OH:48])[OH:49])=[O:50]>>[O:3]=[C:4]([C:5]([CH2:6][c:7]1[c:8]([C:26]([CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[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)([CH3:33])[CH3:34])[OH:35]Participants
8
Sources & evidence
- ORD record
- ord-b2294f1687be43c3bef7f1b2b7ba342f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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