Acetic Acid → HCID 178457625, compound
Reaction equation
[C:55]([O:56][BH-:57]([O:58][C:59](=[O:60])[CH3:61])[O:62][C:63](=[O:64])[CH3:65])(=[O:66])[CH3:67].[C:69](=[O:70])([O-:71])[OH:72].[CH3:74][CH2:75][OH:76].[CH3:77][C:78](=[O:79])[OH:80].[ClH:48].[F:1][CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][N:8]1[C:9](=[O:46])[C:10]([CH3:44])([CH3:45])[O:11][c:12]2[c:13]1[cH:14][c:15]([C:22](=[O:23])[N:24]([CH:25]1[CH2:26][CH2:27][CH:28]([CH2:38][CH:39]=[O:40])[N:29]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:30]1)[CH:41]([CH3:42])[CH3:43])[c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[F:47].[F:49][C:50]([CH2:51][NH2:52])([F:53])[F:54].[Na+:68].[Na+:73]>>[F:1][CH:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][N:8]1[C:9](=[O:46])[C:10]([CH3:44])([CH3:45])[O:11][c:12]2[c:13]1[cH:14][c:15]([C:22](=[O:23])[N:24]([CH:25]1[CH2:26][CH2:27][CH:28]([CH2:38][CH2:39][NH:52][CH2:51][C:50]([F:49])([F:53])[F:54])[N:29]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:30]1)[CH:41]([CH3:42])[CH3:43])[c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[F:47]Participants
9
Sources & evidence
- ORD record
- ord-489342be5a9048afb392d9e6ece61e2f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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