Acetic Acid → HCID 53886279, compound
Reaction equation
[C:1]([CH2:2][C:3](=[O:4])[CH3:5])(=[O:6])[O:7][CH3:8].[CH2:16]([CH2:17][CH2:18][CH3:19])[n:20]1[c:21](=[O:45])[nH:22][c:23](=[O:44])[c:24]2[c:25]1[n:26][c:27]([CH:41]([CH3:42])[CH3:43])[c:28]([CH:37]=[CH:38][CH:39]=[O:40])[c:29]2-[c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]1.[CH3:46][C:47](=[O:48])[OH:49].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[H-:9].[Li:11][CH2:12][CH2:13][CH2:14][CH3:15].[Na+:10].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH2:61]>>[C:1]([CH2:2][C:3](=[O:4])[CH2:5][CH:39]([CH:38]=[CH:37][c:28]1[c:27]([CH:41]([CH3:42])[CH3:43])[n:26][c:25]2[n:20]([CH2:16][CH2:17][CH2:18][CH3:19])[c:21](=[O:45])[nH:22][c:23](=[O:44])[c:24]2[c:29]1-[c:30]1[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]1)[OH:40])(=[O:6])[O:7][CH3:8]Participants
10
Sources & evidence
- ORD record
- ord-0705251e86134fdaa9c7264ecc4c48a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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