Acetic Acid → HCID 178448782, compound
Reaction equation
[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:44][C:45](=[O:46])[OH:47].[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[CH:14]([CH3:15])([CH3:16])[c:17]1[cH:18][n:19][c:20]([NH:22][C:23]([CH:24]([CH2:25][CH2:26][CH3:27])[NH2:28])=[O:29])[s:21]1.[Cl:48][CH2:49][Cl:50].[F:1][c:2]1[c:3]2[c:8]([cH:9][c:10]([F:12])[cH:11]1)[CH2:7][C:6](=[O:13])[CH2:5][CH2:4]2.[Na+:43]>>[F:1][c:2]1[c:3]2[c:8]([cH:9][c:10]([F:12])[cH:11]1)[CH2:7][CH:6]([NH:28][CH:24]([C:23]([NH:22][c:20]1[n:19][cH:18][c:17]([CH:14]([CH3:15])[CH3:16])[s:21]1)=[O:29])[CH2:25][CH2:26][CH3:27])[CH2:5][CH2:4]2Participants
8
Sources & evidence
- ORD record
- ord-ac2d80f57cc14e0cabcfe3c0d222f0e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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