Acetic Acid → HCID 18409471, compound
Reaction equation
[CH3:1][C:2]([C:3]([CH2:4][O:5][c:6]1[n:7][nH:8][c:9](-[c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]2)[c:10]1-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:27])([CH3:28])[CH3:29].[CH3:42][C:43]([OH:44])=[O:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[OH2:30].[c:31]1([CH3:32])[cH:33][cH:34][c:35]([S:36]([OH:37])(=[O:38])=[O:39])[cH:40][cH:41]1>>[CH3:1][C:2]([C:3]([CH2:4][O:5][c:6]1[n:7][n:8]([C:43]([CH3:42])=[O:44])[c:9](-[c:17]2[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]2)[c:10]1-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)=[O:27])([CH3:28])[CH3:29]Participants
6
Sources & evidence
- ORD record
- ord-0c02f883d96746e89778988551f36df3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…