Acetic Acid → HCID 53863639, compound
Reaction equation
[C:1]([CH2:2][C:3](=[O:4])[CH3:5])(=[O:6])[O:7][CH3:8].[CH2:11]([Li:12])[CH2:13][CH2:14][CH3:15].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:53][C:54](=[O:55])[OH:56].[F:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]3[cH:25][cH:26][c:27](=[O:40])[nH:28][c:29]3[n:30][c:31]([CH:37]([CH3:38])[CH3:39])[c:32]2[CH:33]=[CH:34][CH:35]=[O:36])[cH:21][cH:22]1.[H-:9].[Na+:10].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:52]>>[C:1]([CH2:2][C:3](=[O:4])[CH2:5][CH:35]([CH:34]=[CH:33][c:32]1[c:23](-[c:20]2[cH:19][cH:18][c:17]([F:16])[cH:22][cH:21]2)[c:24]2[cH:25][cH:26][c:27](=[O:40])[nH:28][c:29]2[n:30][c:31]1[CH:37]([CH3:38])[CH3:39])[OH:36])(=[O:6])[O:7][CH3:8]Participants
10
Sources & evidence
- ORD record
- ord-0a610d36c9cf4559b53d69453bb04c7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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