Acetic Acid → HCID 58588036, compound
Reaction equation
[C:40]([OH:41])(=[O:42])[CH3:43].[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].[CH3:34][N:35]([CH2:36][CH2:37][NH2:38])[CH3:39].[CH3:58][OH:59].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([CH3:30])[c:12]([O:15][c:16]3[n:17][cH:18][cH:19][cH:20][c:21]3-[c:22]3[n:23][c:24]([NH:28][CH3:29])[n:25][cH:26][cH:27]3)[cH:13][cH:14]2)[cH:31][cH:32][cH:33]1.[Na+:57]>>[CH2:1]([c:3]1[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([CH3:30])[c:12]([O:15][c:16]3[n:17][cH:18][cH:19][cH:20][c:21]3-[c:22]3[n:23][c:24]([NH:28][CH3:29])[n:25][cH:26][cH:27]3)[cH:13][cH:14]2)[cH:31][cH:32][cH:33]1)[NH:38][CH2:37][CH2:36][N:35]([CH3:34])[CH3:39]Participants
7
Sources & evidence
- ORD record
- ord-2e5d374c054d4273899377b54cf45bb0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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