Acetic Acid → HCID 9848926, compound
Reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][n:7][c:8]([CH2:10][S:11][c:12]2[cH:13][n:14][c:15]([NH:17][C:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([CH:26]=[O:27])[cH:24][cH:25]3)=[O:28])[s:16]2)[o:9]1.[CH3:60][C:61](=[O:62])[OH:63].[NH2:29][CH2:30][C:31]([CH2:32][OH:33])([CH3:34])[CH3:35].[Na+:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][n:7][c:8]([CH2:10][S:11][c:12]2[cH:13][n:14][c:15]([NH:17][C:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([CH2:26][NH:29][CH2:30][C:31]([CH2:32][OH:33])([CH3:34])[CH3:35])[cH:24][cH:25]3)=[O:28])[s:16]2)[o:9]1Participants
8
Sources & evidence
- ORD record
- ord-779fecbf275e4f05a9945581c261ab43
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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