Acetic Acid → HCID 22955457, compound
Reaction equation
[CH3:49][C:50](=[O:51])[OH:52].[CH3:53][OH:54].[ClH:1].[OH:2][CH:3]([C:4](=[O:5])[NH:6][CH:7]([CH2:8][C:9](=[O:10])[OH:11])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([CH:19]([CH:20]([CH2:21][OH:22])[NH:23][C:24]([CH:25]([NH2:26])[CH2:27][CH:28]([CH3:29])[CH3:30])=[O:31])[OH:32])[OH:33].[c:34]1([C:40](=[N+:41]=[N-:42])[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[OH:2][CH:3]([C:4](=[O:5])[NH:6][CH:7]([CH2:8][C:9](=[O:10])[O:11][CH:40]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]([CH:19]([CH:20]([CH2:21][OH:22])[NH:23][C:24]([CH:25]([NH2:26])[CH2:27][CH:28]([CH3:29])[CH3:30])=[O:31])[OH:32])[OH:33]Participants
6
Sources & evidence
- ORD record
- ord-4aada6972eaf4437b64b85cf9a277cee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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