2-Butenedioic acid → HCID 13100875, compound
Reaction equation
[C:1]([OH:2])(=[O:3])[CH:4]=[CH:5][C:6]([OH:7])=[O:8].[C:35](=[O:36])([O-:37])[O-:38].[CH2:9]([c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[O:16][c:17]1[cH:18][n:19][c:20]([O:25][CH2:26][CH:27]([CH2:28][NH:29][C:30]([CH3:31])([CH3:32])[CH3:33])[OH:34])[c:21]([C:22]#[N:23])[cH:24]1.[Na+:39].[Na+:40]>>[OH:16][c:17]1[cH:18][n:19][c:20]([O:25][CH2:26][CH:27]([CH2:28][NH:29][C:30]([CH3:31])([CH3:32])[CH3:33])[OH:34])[c:21]([C:22]#[N:23])[cH:24]1Participants
5
Sources & evidence
- ORD record
- ord-03905bea56864f6c8224fd84a8cfca71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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