Acetic Acid → HCID 178451318, compound
Reaction equation
[C:46]([O:47][BH-:48]([O:49][C:50](=[O:51])[CH3:52])[O:53][C:54](=[O:55])[CH3:56])(=[O:57])[CH3:58].[CH3:1][C:2](=[O:3])[OH:4].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[NH2:5][CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][c:12]([OH:20])[c:13]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:14]1.[Na+:59].[O:21]=[C:22]1[CH2:23][CH2:24][N:25]([c:28]2[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[NH:37][CH2:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:32][cH:33]2)[CH2:26][CH2:27]1>>[NH:5]([CH2:6][CH:7]([OH:8])[c:9]1[cH:10][cH:11][c:12]([OH:20])[c:13]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[cH:14]1)[CH:22]1[CH2:23][CH2:24][N:25]([c:28]2[cH:29][cH:30][c:31]([S:34](=[O:35])(=[O:36])[NH:37][CH2:38][C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:32][cH:33]2)[CH2:26][CH2:27]1Participants
7
Sources & evidence
- ORD record
- ord-e11cc8eab0a042fa9093e359c9de6265
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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