Acetic Acid → HCID 178505047, compound
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][CH:19]([NH:22][CH2:23][CH:24]([c:25]3[cH:26][c:27]([NH:32][S:33](=[O:34])(=[O:35])[CH3:36])[c:28]([OH:31])[cH:29][cH:30]3)[OH:37])[CH2:20][CH2:21]2)[cH:14][cH:15]1)[CH2:38][CH:39]1[CH2:40][CH2:41]1)=[O:42].[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][CH2:51][OH:52].[Li+:45].[OH-:44].[OH2:43].[OH2:53]>>[O:3]=[C:4]([CH2:5][N:6]([S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([N:16]2[CH2:17][CH2:18][CH:19]([NH:22][CH2:23][CH:24]([c:25]3[cH:26][c:27]([NH:32][S:33](=[O:34])(=[O:35])[CH3:36])[c:28]([OH:31])[cH:29][cH:30]3)[OH:37])[CH2:20][CH2:21]2)[cH:14][cH:15]1)[CH2:38][CH:39]1[CH2:40][CH2:41]1)[OH:42]Participants
7
Sources & evidence
- ORD record
- ord-00d2d77cd9d24b42a93e20dfe523818b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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