Acetone → 2-Butenedioic acid
Reaction equation
[C:26]([CH:27]=[CH:28][C:29](=[O:30])[O-:31])(=[O:32])[O-:33].[CH2:1]([CH2:2][CH3:3])[N:4]=[C:5]([NH:6][c:7]1[n:8][n:9]([CH2:12][CH2:13][CH2:14][CH2:15][C:16]#[N:17])[cH:10][cH:11]1)[NH2:18].[CH3:34][C:35](=[O:36])[CH3:37].[Na+:25].[OH-:24].[S:19]([OH:20])(=[O:21])(=[O:22])[OH:23]>>[C:26]([CH:27]=[CH:28][C:29](=[O:30])[OH:31])(=[O:32])[OH:33].[CH2:1]([CH2:2][CH3:3])[N:4]=[C:5]([NH:6][c:7]1[n:8][n:9]([CH2:12][CH2:13][CH2:14][CH2:15][C:16]([NH2:17])=[O:20])[cH:10][cH:11]1)[NH2:18]Participants
8
Sources & evidence
- ORD record
- ord-c7d8a7b584a649e6a2536d9043ea03bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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