Acetic Acid → HCID 59398044, compound
Reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[O:21][C:22]([N:23]([CH:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1)[CH2:30][c:31]1[cH:32][c:33]2[c:34]([cH:39][cH:40]1)[O:35][CH2:36][CH2:37][O:38]2)=[O:41].[C:42]([O:43][BH-:44]([O:45][C:46](=[O:47])[CH3:48])[O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[C:56](=[O:57])([O-:58])[OH:59].[CH3:1][O:2][c:3]1[c:4]2[cH:5][cH:6][c:7](=[O:16])[n:8]([CH2:13][CH:14]=[O:15])[c:9]2[cH:10][cH:11][cH:12]1.[CH3:65][C:66](=[O:67])[OH:68].[CH:61]([Cl:62])([Cl:63])[Cl:64].[Cl:69][CH2:70][Cl:71].[Na+:55].[Na+:60]>>[CH3:1][O:2][c:3]1[c:4]2[cH:5][cH:6][c:7](=[O:16])[n:8]([CH2:13][CH2:14][N:27]3[CH2:26][CH2:25][CH:24]([N:23]([C:22]([O:21][C:17]([CH3:18])([CH3:19])[CH3:20])=[O:41])[CH2:30][c:31]4[cH:32][c:33]5[c:34]([cH:39][cH:40]4)[O:35][CH2:36][CH2:37][O:38]5)[CH2:29][CH2:28]3)[c:9]2[cH:10][cH:11][cH:12]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-a1822a6102a44c1d80b8dfc75acdb178
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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