Acetic Acid → HCID 68433504, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]1[cH:12][c:13]([O:17][CH2:18][C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)=[O:26])[cH:14][cH:15][cH:16]1)([C:27](=[O:28])[O:29][CH3:30])[CH3:31].[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:32][C:33](=[O:34])[OH:35].[Cl:58][CH:59]([Cl:60])[CH3:61].[NH2:36][CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Na+:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]1[cH:12][c:13]([O:17][CH2:18][CH:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[NH:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[cH:14][cH:15][cH:16]1)([C:27](=[O:28])[O:29][CH3:30])[CH3:31]Participants
7
Sources & evidence
- ORD record
- ord-138d18c6bf8448d19905315fc71d580d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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