Acetic Acid → HCID 59397909, compound
Reaction equation
[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].[C:58](=[O:59])([O-:60])[OH:61].[CH3:26][N:27]([c:28]1[cH:29][cH:30][c:31]2[c:32]([CH3:42])[cH:33][c:34](=[O:41])[n:35]([CH2:38][CH:39]=[O:40])[c:36]2[cH:37]1)[CH3:43].[CH3:63][C:64](=[O:65])[OH:66].[CH:67]([Cl:68])([Cl:69])[Cl:70].[Na+:57].[Na+:62].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1)[cH:10]2>>[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[CH:20]1[CH2:21][CH2:22][N:23]([CH2:39][CH2:38][n:35]3[c:34](=[O:41])[cH:33][c:32]([CH3:42])[c:31]4[cH:30][cH:29][c:28]([N:27]([CH3:26])[CH3:43])[cH:37][c:36]43)[CH2:24][CH2:25]1)[cH:10]2Participants
8
Sources & evidence
- ORD record
- ord-6371a86bb7f2463f866116f41ae060a4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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