2-Butenedioic acid → HCID 14050289, compound
Reaction equation
[C:12](=[O:13])([n:14]1[cH:15][cH:16][n:17][cH:18]1)[n:19]1[cH:20][cH:21][n:22][cH:23]1.[CH3:52][OH:53].[NH2:1][CH2:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH3:11])[CH2:9][CH2:10]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH:39][C:40]([CH:41]=[CH:42][C:43](=[O:44])[OH:45])=[O:46].[c:24]1([S:30](=[O:31])(=[O:32])[CH2:33][CH2:34][NH:35][CH:36]([CH3:37])[CH3:38])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[NH:1]([CH2:2][CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH3:11])[CH2:9][CH2:10]1)[C:12](=[O:13])[N:35]([CH2:34][CH2:33][S:30]([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)(=[O:31])=[O:32])[CH:36]([CH3:37])[CH3:38]Participants
7
Sources & evidence
- ORD record
- ord-4f1bc98a1af04984917e5e8b0d3778b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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