Acetic Acid → HCID 54012500, compound
Reaction equation
[CH2:30]1[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[CH3:36][C:37](=[O:38])[OH:39].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([O:18][CH3:19])=[O:20])[cH:14][cH:15]2)[cH:21][cH:22]1.[OH2:40].[S:23]1[C:24](=[O:29])[NH:25][C:26](=[O:28])[CH2:27]1>>[CH:1]([c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([NH:16][C:17]([O:18][CH3:19])=[O:20])[cH:14][cH:15]2)[cH:21][cH:22]1)=[C:27]1[S:23][C:24](=[O:29])[NH:25][C:26]1=[O:28]Participants
7
Sources & evidence
- ORD record
- ord-98686041d2b2415caff1ccb8bca6e66e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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