Acetic Acid → HCID 22180711, compound
Reaction equation
[C:22]([O:23][CH2:24][CH3:25])([O:26][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:27].[CH3:40][C:41](=[O:42])[OH:43].[H-:20].[NH2:1][c:2]1[nH:3][c:4]2[cH:5][cH:6][c:7]([S:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:8][c:9]2[c:10]1[C:11]#[N:12].[Na+:21].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[OH2:34]>>[NH:1]([c:2]1[nH:3][c:4]2[cH:5][cH:6][c:7]([S:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[cH:8][c:9]2[c:10]1[C:11]#[N:12])[C:22]([O:23][CH2:24][CH3:25])=[O:26]Participants
8
Sources & evidence
- ORD record
- ord-690da07be57c4619a1d1e39d6447f847
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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