Acetic Acid → HCID 76166053, compound
Reaction equation
[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[CH3:53][C:54](=[O:55])[OH:56].[F:1][C:2]([CH2:3][CH2:4][CH2:5][S:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][NH:13][CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([C:23](=[C:24]([CH2:25][CH3:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]2)[cH:21][cH:22]1)([C:40]([F:41])([F:42])[F:43])[F:44].[OH2:57].[OH:45][OH:46]>>[F:1][C:2]([CH2:3][CH2:4][CH2:5][S:6]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][NH:13][CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([C:23](=[C:24]([CH2:25][CH3:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][c:36]([OH:39])[cH:37][cH:38]2)[cH:21][cH:22]1)=[O:45])([C:40]([F:41])([F:42])[F:43])[F:44]Participants
6
Sources & evidence
- ORD record
- ord-0295eee59f814e838ceeddf29139523f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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