Acetic Acid → HCID 59398239, compound
Reaction equation
[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[C:55](=[O:56])([O-:57])[OH:58].[CH3:1][c:2]1[c:3](=[O:15])[n:4]([CH2:12][CH:13]=[O:14])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1.[CH3:60][C:61](=[O:62])[OH:63].[CH:64]([Cl:65])([Cl:66])[Cl:67].[Na+:54].[Na+:59].[O:16]1[CH2:17][CH2:18][O:19][c:20]2[c:21]1[cH:22][cH:23][c:24]([CH2:26][N:27]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1)[cH:25]2>>[CH3:1][c:2]1[c:3](=[O:15])[n:4]([CH2:12][CH2:13][N:38]2[CH2:37][CH2:36][CH:35]([N:27]([CH2:26][c:24]3[cH:23][cH:22][c:21]4[c:20]([cH:25]3)[O:19][CH2:18][CH2:17][O:16]4)[C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[CH2:40][CH2:39]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[cH:11]1Participants
8
Sources & evidence
- ORD record
- ord-37d9c2371cb949e3bd8e049462ac59cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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