Acetic Acid → HCID 178423972, 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].[C:56]([OH:57])(=[O:58])[CH3:59].[CH3:1][c:2]1[c:3]([CH2:14][O:15][CH:16]2[CH2:17][CH:18]([CH:22]=[O:23])[CH2:19][CH2:20][CH2:21]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[o:6]1.[Cl-:50].[Cl:52][CH2:53][Cl:54].[NH2:24][CH:25]([CH:26]([CH3:27])[CH3:28])[C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35].[NH4+:51].[Na+:49].[OH2:55]>>[CH3:1][c:2]1[c:3]([CH2:14][O:15][CH:16]2[CH2:17][CH:18]([CH2:22][NH:24][CH:25]([CH:26]([CH3:27])[CH3:28])[C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:19][CH2:20][CH2:21]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[o:6]1Participants
10
Sources & evidence
- ORD record
- ord-8214a39e194e49edb7684089fe81c50f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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