Citric Acid → 2-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpent-2-enoic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH:8]([C:9](=[O:10])[OH:11])[P:12]([O:13][CH2:14][CH3:15])([O:16][CH2:17][CH3:18])=[O:19])=[O:20].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:27]([CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:36].[K+:26].[Na+:51].[OH-:50].[OH2:57].[OH:37][C:38]([CH2:39][C:40]([C:41](=[O:42])[OH:43])([CH2:44][C:45](=[O:46])[OH:47])[OH:48])=[O:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][C:8]([C:9](=[O:10])[OH:11])=[CH:27][CH2:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)=[O:20]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-da8d7310f84840dfab5ee40656ed0052
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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