Citric Acid → Citric Acid
Reaction equation
[C:14]([CH2:15][C:16]([OH:17])([C:18](=[O:19])[OH:20])[CH2:21][C:22](=[O:23])[OH:24])(=[O:25])[OH:26].[C:71]([O-:72])(=[O:73])[CH2:74][C:75]([CH2:76][C:77]([O-:78])=[O:79])([C:80]([O-:81])=[O:82])[OH:83].[F:27][c:28]1[cH:29][c:30]([CH:35]([CH2:36][N:37]([C:38](=[O:39])[c:40]2[cH:41][c:42]([N+:50](=[O:51])[O-:52])[cH:43][c:44]3[cH:45][cH:46][cH:47][cH:48][c:49]23)[CH3:53])[CH2:54][CH2:55][N:56]2[CH2:57][CH2:58][CH:59]([c:60]3[cH:61][cH:62][cH:63][cH:64][c:65]3[S:66]([CH3:67])=[O:68])[CH2:69][CH2:70]2)[cH:31][cH:32][c:33]1[F:34].[O:1]=[C:2]1[N:3]([CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[CH2:4][CH2:5][CH2:6][NH:7]1.[OH2:84]>>[C:14]([CH2:15][C:16]([OH:17])([C:18](=[O:19])[OH:20])[CH2:21][C:22](=[O:23])[OH:24])(=[O:25])[OH:26].[O:1]=[C:2]1[N:3]([CH:8]2[CH2:9][CH2:10][N:11]([CH2:55][CH2:54][CH:35]([c:30]3[cH:29][c:28]([F:27])[c:33]([F:34])[cH:32][cH:31]3)[CH2:36][N:37]([C:38](=[O:39])[c:40]3[cH:41][c:42]([N+:50](=[O:51])[O-:52])[cH:43][c:44]4[cH:45][cH:46][cH:47][cH:48][c:49]34)[CH3:53])[CH2:12][CH2:13]2)[CH2:4][CH2:5][CH2:6][NH:7]1Participants
7
Sources & evidence
- ORD record
- ord-8bc538c0a0304c3aafb11d94588512dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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