Acetic Acid → HCID 70862030, compound
Reaction equation
[C:49]([O:50][BH-:51]([O:52][C:53](=[O:54])[CH3:55])[O:56][C:57](=[O:58])[CH3:59])(=[O:60])[CH3:61].[C:63](=[O:64])([O-:65])[OH:66].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([CH:17]=[CH:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:8][c:9](=[O:16])[n:10]([CH2:13][CH:14]=[O:15])[c:11]2[cH:12]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH3:75][C:76](=[O:77])[OH:78].[Cl:79][CH2:80][Cl:81].[Na+:62].[Na+:67].[O:24]1[CH2:25][CH2:26][O:27][c:28]2[c:29]1[cH:30][cH:31][c:32]([CH2:34][N:35]([C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH:43]1[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]1)[cH:33]2.[OH2:74]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([CH:17]=[CH:18][C:19](=[O:20])[O:21][CH2:22][CH3:23])[cH:8][c:9](=[O:16])[n:10]([CH2:13][CH2:14][N:46]3[CH2:45][CH2:44][CH:43]([N:35]([CH2:34][c:32]4[cH:31][cH:30][c:29]5[c:28]([cH:33]4)[O:27][CH2:26][CH2:25][O:24]5)[C:36]([O:37][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:42])[CH2:48][CH2:47]3)[c:11]2[cH:12]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-f8f82e5ec395465a90a2540a3f773f57
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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