Acetic Acid → HCID 86743699, compound
Reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][CH2:36][OH:37].[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[cH:8][cH:9][c:10]([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:25]2)[CH2:20][C:21]([CH3:23])([CH3:24])[O:22]3)[cH:11][cH:12]1)([F:26])[F:27].[NH2:29][NH2:30].[OH2:28]>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:7]1[cH:8][cH:9][c:10]([C:13]([c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:25]2)[CH2:20][C:21]([CH3:23])([CH3:24])[O:22]3)=[N:29][NH2:30])[cH:11][cH:12]1)([F:26])[F:27]Participants
6
Sources & evidence
- ORD record
- ord-6921567cc86949c5bbe572660c392a2b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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