Citric Acid → HCID 178473186, compound
Reaction equation
[C:52]([CH3:53])([CH3:54])([CH3:55])[O:56][C:57]([CH2:58][NH2:59])=[O:60].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[N:6]1[CH:7]([CH2:43][CH3:44])[CH2:8][CH:9]([NH:20][c:21]2[n:22][c:23]([CH2:28][c:29]3[cH:30][c:31]([C:39]([F:40])([F:41])[F:42])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]3)[n:24][c:25]([Cl:27])[cH:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH3:74][N:75]1[CH2:76][CH2:77][N:78]([CH3:79])[C:80]1=[O:81].[CH3:82][CH2:83][O:84][C:85](=[O:86])[CH3:87].[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]([CH2:43][CH3:44])[CH2:8][CH:9]([NH:20][c:21]2[n:22][c:23]([CH2:28][c:29]3[cH:30][c:31]([C:39]([F:40])([F:41])[F:42])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]3)[n:24][c:25]([NH:59][CH2:58][C:57]([O:56][C:52]([CH3:53])([CH3:54])[CH3:55])=[O:60])[cH:26]2)[c:10]2[cH:11][c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][cH:14][c:15]21Participants
7
Sources & evidence
- ORD record
- ord-b5ee35ea25784c6a82545a1d631861ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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