Citric Acid → HCID 178473234, compound
Reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:45][CH3:46])[CH2:8][CH:9]([NH:17][c:18]2[n:19][cH:20][c:21]([N:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[c:22]([CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[n:23]2)[c:10]2[n:11][c:12]([OH:16])[cH:13][cH:14][c:15]21.[CH3:53][O:54][C:55]([C:56]([F:57])([F:58])[Cl:60])=[O:59].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[CH3:79][CH2:80][O:81][C:82](=[O:83])[CH3:84].[Cs+:51].[Cs+:52].[OH:61][C:62]([CH2:63][C:64]([C:65](=[O:66])[OH:67])([CH2:68][C:69](=[O:70])[OH:71])[OH:72])=[O:73]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:45][CH3:46])[CH2:8][CH:9]([NH:17][c:18]2[n:19][cH:20][c:21]([N:39]3[CH2:40][CH2:41][O:42][CH2:43][CH2:44]3)[c:22]([CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[n:23]2)[c:10]2[n:11][c:12]([O:16][CH:56]([F:57])[F:58])[cH:13][cH:14][c:15]21Participants
8
Sources & evidence
- ORD record
- ord-936dabcab09248bb8e906e188fe08bd0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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