Acetic Acid → HCID 59398018, compound
Reaction equation
[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[C:56](=[O:57])([O-:58])[OH:59].[CH3:66][C:67](=[O:68])[OH:69].[CH:61]([Cl:62])([Cl:63])[Cl:64].[Cl:70][CH2:71][Cl:72].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([CH3:16])[cH:7][c:8](=[O:15])[n:9]([CH2:12][CH:13]=[O:14])[c:10]2[cH:11]1.[Na+:55].[Na+:60].[O:17]1[CH2:18][CH2:19][O:20][c:21]2[c:22]1[cH:23][cH:24][c:25]([CH2:27][N:28]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1)[cH:26]2.[OH2:65]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([CH3:16])[cH:7][c:8](=[O:15])[n:9]([CH2:12][CH2:13][N:39]3[CH2:38][CH2:37][CH:36]([N:28]([CH2:27][c:25]4[cH:24][cH:23][c:22]5[c:21]([cH:26]4)[O:20][CH2:19][CH2:18][O:17]5)[C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:41][CH2:40]3)[c:10]2[cH:11]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-d5a14fe816ad4837b6d66ed37af8c8ca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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