Carbonic Acid → 3,5-Dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][C:10](=[CH:11][C:12]([N:13]([CH3:14])[CH:15]([C:16](=[O:17])[N:18]([CH3:19])[CH:20]([C:21](=[O:22])[NH:23][CH2:24][CH:25]1[CH2:26][CH2:27][CH2:28][O:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[CH2:37][c:38]1[cH:39][cH:40][c:41]2[c:42]([cH:43][cH:44][cH:45][cH:46]2)[cH:47]1)=[O:48])[CH3:49])([CH3:50])[CH3:51])=[O:52].[C:60](=[O:61])([O-:62])[O-:63].[C:65](=[O:66])([OH:67])[OH:68].[C:70](=[O:71])([O-:72])[OH:73].[CH2:75]([Cl:76])[Cl:77].[Na+:64].[Na+:69].[Na+:74].[OH:53][C:54]([C:55]([F:56])([F:57])[F:58])=[O:59]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]([CH2:9][C:10](=[CH:11][C:12]([OH:48])=[O:53])[CH3:49])([CH3:50])[CH3:51])=[O:52]Participants
8
Sources & evidence
- ORD record
- ord-7062fabe57314603af869ee2b096b27d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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