Acetic Acid → HCID 135416033, compound
Reaction equation
[C:40]([OH:41])(=[O:42])[CH3:43].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:38])[cH:8][c:9]([O:12][CH:13]([CH3:14])[c:15]2[c:16]([CH:35]([CH3:36])[CH3:37])[n:17][c:18](-[c:20]3[cH:21][cH:22][c:23]([B:26]4[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]4)[cH:24][cH:25]3)[o:19]2)[cH:10][cH:11]1)=[O:39].[Na+:46].[Na+:47].[O-:48][S:49]([O-:50])(=[S:51])=[O:52].[OH2:58].[OH:44][OH:45]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:38])[cH:8][c:9]([O:12][CH:13]([CH3:14])[c:15]2[c:16]([CH:35]([CH3:36])[CH3:37])[n:17][c:18](-[c:20]3[cH:21][cH:22][c:23]([OH:42])[cH:24][cH:25]3)[o:19]2)[cH:10][cH:11]1)=[O:39]Participants
8
Sources & evidence
- ORD record
- ord-0f70f3c97a6c4a5b8371458242c1f38b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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