Acetic Acid → HCID 59398285, compound
Reaction equation
[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].[CH3:61][C:62](=[O:63])[OH:64].[CH:65]([Cl:66])([Cl:67])[Cl:68].[Cl:1][c:2]1[cH:3][c:4](=[O:16])[n:5]([CH2:13][CH:14]=[O:15])[c:6]2[cH:7][c:8]([Cl:12])[cH:9][cH:10][c:11]12.[Na+:55].[Na+:60].[O:17]1[CH2:18][CH2:19][O:20][c:21]2[c:22]1[cH:23][cH:24][c:25]([CH2:27][N:28]([C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH:36]1[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]1)[cH:26]2>>[Cl:1][c:2]1[cH:3][c:4](=[O:16])[n:5]([CH2:13][CH2:14][N:39]2[CH2:38][CH2:37][CH:36]([N:28]([CH2:27][c:25]3[cH:24][cH:23][c:22]4[c:21]([cH:26]3)[O:20][CH2:19][CH2:18][O:17]4)[C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:41][CH2:40]2)[c:6]2[cH:7][c:8]([Cl:12])[cH:9][cH:10][c:11]12Participants
8
Sources & evidence
- ORD record
- ord-ad253e0e72014666aa409d0bdfbcd4e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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