Acetic Acid → HCID 178505038, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([N:13]2[CH2:14][CH2:15][CH:16]([NH:19][CH2:20][CH:21]([c:22]3[cH:23][c:24]([NH:29][S:30](=[O:31])(=[O:32])[CH3:33])[c:25]([OH:28])[cH:26][cH:27]3)[OH:34])[CH2:17][CH2:18]2)[cH:11][cH:12]1)=[O:35].[CH3:38][C:39](=[O:40])[OH:41].[CH3:42][CH2:43][OH:44].[Na+:37].[OH-:36]>>[O:3]=[C:4]([CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([N:13]2[CH2:14][CH2:15][CH:16]([NH:19][CH2:20][CH:21]([c:22]3[cH:23][c:24]([NH:29][S:30](=[O:31])(=[O:32])[CH3:33])[c:25]([OH:28])[cH:26][cH:27]3)[OH:34])[CH2:17][CH2:18]2)[cH:11][cH:12]1)[OH:35]Participants
6
Sources & evidence
- ORD record
- ord-9d980041f74a49478fe30e98ca56535e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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