Acetic Acid → HCID 21084901, compound
Reaction equation
[C:39]([OH:40])(=[O:41])[CH3:42].[CH2:1]([CH:2]=[CH2:3])[S:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([CH2:13][NH:14][C:15]2([c:18]3[cH:19][c:20]([CH2:24][CH3:25])[cH:21][cH:22][cH:23]3)[CH2:16][CH2:17]2)[OH:26])[CH2:27][c:28]2[cH:29][c:30]([F:35])[cH:31][c:32]([F:34])[cH:33]2)[cH:36][cH:37][cH:38]1.[CH3:57][CH2:58][O:59][CH2:60][CH3:61].[Cl:54][CH2:55][Cl:56].[OH:43][O:44][C:45]([c:46]1[cH:47][c:48]([Cl:49])[cH:50][cH:51][cH:52]1)=[O:53]>>[CH2:1]([CH:2]=[CH2:3])[S:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[NH:10][CH:11]([CH:12]([CH2:13][NH:14][C:15]2([c:18]3[cH:19][c:20]([CH2:24][CH3:25])[cH:21][cH:22][cH:23]3)[CH2:16][CH2:17]2)[OH:26])[CH2:27][c:28]2[cH:29][c:30]([F:35])[cH:31][c:32]([F:34])[cH:33]2)[cH:36][cH:37][cH:38]1)=[O:41]Participants
6
Sources & evidence
- ORD record
- ord-05fadee2394740dc962b5f63cd93e132
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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