Citric Acid → HCID 86626798, compound
Reaction equation
[CH3:67][CH2:68][OH:69].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][O:17][CH3:18])[cH:12][n:13]2)[CH2:19][c:20]2[c:21]([N:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH2:41][CH3:42])[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)([F:50])[F:51].[Na+:53].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[OH-:52].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([O:14][CH2:15][CH2:16][O:17][CH3:18])[cH:12][n:13]2)[CH2:19][c:20]2[c:21]([N:30]([CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:41][CH3:42])[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]2)[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)([F:50])[F:51]Participants
7
Sources & evidence
- ORD record
- ord-4d7d72cff4a849a9a5102f4628ee0c9e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…