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:70]([O-:71])(=[O:72])[CH2:73][C:74]([CH2:75][C:76]([O-:77])=[O:78])([C:79]([O-:80])=[O:81])[OH:82].[Cl:27][c:28]1[cH:29][cH:30][c:31]([CH:34]([CH2:35][N:36]([C:37](=[O:38])[c:39]2[cH:40][c:41]([N+:49](=[O:50])[O-:51])[cH:42][c:43]3[cH:44][cH:45][cH:46][cH:47][c:48]23)[CH3:52])[CH2:53][CH2:54][N:55]2[CH2:56][CH2:57][CH:58]([c:59]3[cH:60][cH:61][cH:62][cH:63][c:64]3[S:65]([CH3:66])=[O:67])[CH2:68][CH2:69]2)[cH:32][cH:33]1.[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.[OH2:83]>>[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]([CH2:54][CH2:53][CH:34]([c:31]3[cH:30][cH:29][c:28]([Cl:27])[cH:33][cH:32]3)[CH2:35][N:36]([C:37](=[O:38])[c:39]3[cH:40][c:41]([N+:49](=[O:50])[O-:51])[cH:42][c:43]4[cH:44][cH:45][cH:46][cH:47][c:48]34)[CH3:52])[CH2:12][CH2:13]2)[CH2:4][CH2:5][CH2:6][NH:7]1Participants
7
Sources & evidence
- ORD record
- ord-21ab79d78282450fa2d2e2809274559e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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