Citric Acid → HCID 178463692, compound
Reaction equation
[CH3:64][CH2:65][OH:66].[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:46])[N:15]([CH2:19][c:20]3[c:21]([N:30]([CH2:31][CH3:32])[CH2:33][CH:34]4[CH2:35][CH2:36][CH:37]([CH2:40][C:41](=[O:42])[O:43][CH2:44][CH3:45])[CH2:38][CH2:39]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:47])[F:48].[K+:50].[OH-:49].[OH:51][C:52]([CH2:53][C:54]([C:55](=[O:56])[OH:57])([CH2:58][C:59](=[O:60])[OH:61])[OH:62])=[O:63]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH:13]2[CH:14]([CH3:46])[N:15]([CH2:19][c:20]3[c:21]([N:30]([CH2:31][CH3:32])[CH2:33][CH:34]4[CH2:35][CH2:36][CH:37]([CH2:40][C:41](=[O:42])[OH:43])[CH2:38][CH2:39]4)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[C:16](=[O:18])[O:17]2)[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:47])[F:48]Participants
6
Sources & evidence
- ORD record
- ord-ea21db25dd6d4233b54b5071dbdea13b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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