Acetic Acid → HCID 69288008, compound
Reaction equation
[Br:32][CH2:33][c:34]1[n:35][o:36][c:37](-[c:39]2[s:40][c:41]([Cl:44])[cH:42][cH:43]2)[cH:38]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:24])[nH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([CH:20]([CH3:21])[CH3:22])[CH2:18][CH2:19]2)=[O:23])[c:10]1[CH3:11])=[O:25].[CH3:45][C:46](=[O:47])[OH:48].[Cs+:30].[Cs+:31].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53]>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[c:7]([CH3:24])[n:8]([CH2:33][c:34]2[n:35][o:36][c:37](-[c:39]3[s:40][c:41]([Cl:44])[cH:42][cH:43]3)[cH:38]2)[c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([CH:20]([CH3:21])[CH3:22])[CH2:18][CH2:19]2)=[O:23])[c:10]1[CH3:11])=[O:25]Participants
7
Sources & evidence
- ORD record
- ord-525dea4aabab4e20bcf741c022dc6948
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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