Acetic Acid → HCID 22320345, compound
Reaction equation
[CH3:1][c:2]1[n:3][n:4](-[c:17]2[n:18][cH:19][cH:20][cH:21][cH:22]2)[c:5]2[n:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]([C:15]#[N:16])[c:14]12.[CH3:31][C:32](=[O:33])[OH:34].[Na+:30].[OH-:29].[OH2:28].[S:23]([OH:24])(=[O:25])(=[O:26])[OH:27]>>[CH3:1][c:2]1[n:3][n:4](-[c:17]2[n:18][cH:19][cH:20][cH:21][cH:22]2)[c:5]2[n:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]3[c:13]([C:15]([NH2:16])=[O:24])[c:14]12Participants
7
Sources & evidence
- ORD record
- ord-5e305da38a2948749c149ff98b803437
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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