Acetic Acid → HCID 9870697, 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].[CH3:60][C:61](=[O:62])[OH:63].[CH3:8][C:9]([CH3:10])([CH3:11])[c:12]1[cH:13][n:14][c:15]([CH2:17][S:18][c:19]2[cH:20][n:21][c:22]([NH:24][C:25]([CH2:26][c:27]3[cH:28][c:29]([CH:33]=[O:34])[cH:30][cH:31][cH:32]3)=[O:35])[s:23]2)[o:16]1.[NH2:1][CH2:2][C:3]([CH2:4][OH:5])([CH3:6])[CH3:7].[Na+:49].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[NH:1]([CH2:2][C:3]([CH2:4][OH:5])([CH3:6])[CH3:7])[CH2:33][c:29]1[cH:28][c:27]([CH2:26][C:25]([NH:24][c:22]2[n:21][cH:20][c:19]([S:18][CH2:17][c:15]3[n:14][cH:13][c:12]([C:9]([CH3:8])([CH3:10])[CH3:11])[o:16]3)[s:23]2)=[O:35])[cH:32][cH:31][cH:30]1Participants
8
Sources & evidence
- ORD record
- ord-afb5e99724a04fbe871a59b3b54c716e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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