Acetic Acid → HCID 17759781, compound
Reaction equation
[C:27]([CH3:28])([CH3:29])([CH3:30])[O:31][C:32](=[O:33])[N:34]1[CH2:35][CH2:36][CH:37]([CH:40]=[O:41])[CH2:38][CH2:39]1.[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][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([NH2:26])[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[CH3:42][C:43](=[O:44])[OH:45].[Cl:60][CH2:61][Cl:62].[Na+:59]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7](-[c:20]2[cH:21][c:22]([NH:26][CH2:40][CH:37]3[CH2:36][CH2:35][N:34]([C:32]([O:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:33])[CH2:39][CH2:38]3)[cH:23][cH:24][cH:25]2)[c:8]([Br:19])[c:9]1[O:10][CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-4680742aced64d45a8539610e11ce175
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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