Acetic Acid → HCID 68999266, compound
Reaction equation
[CH3:37][C:38](=[O:39])[OH:40].[ClH:31].[Na+:36].[OH-:35].[Sn:32]([Cl:33])[Cl:34].[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13]([NH:18][C:19]([c:20]3[cH:21][c:22]([CH3:29])[c:23]([N+:26]([O-:27])=[O:28])[cH:24][cH:25]3)=[O:30])[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13]([NH:18][C:19]([c:20]3[cH:21][c:22]([CH3:29])[c:23]([NH2:26])[cH:24][cH:25]3)=[O:30])[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12Participants
7
Sources & evidence
- ORD record
- ord-7f108f8a7c0e48a18e717804a731405d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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