DL-valine → HCID 178449524, compound
Reaction equation
[B-:48]([F:49])([F:50])([F:51])[F:52].[CH3:41][N:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[NH2:70][CH:71]([CH:72]([CH3:73])[CH3:74])[C:75](=[O:76])[OH:77].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([CH2:11][S:12][CH:13]1[CH:14]([c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][C:31](=[O:32])[NH:33][CH2:34][C:35](=[O:36])[OH:37])[cH:38][cH:39]3)[N:15]([c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[C:16]1=[O:17])[OH:40])[cH:9]2.[O:78]=[CH:79][N:80]([CH3:81])[CH3:82].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([CH:10]([CH2:11][S:12][CH:13]1[CH:14]([c:25]3[cH:26][cH:27][c:28]([O:29][CH2:30][C:31](=[O:32])[NH:33][CH2:34][C:35](=[O:36])[NH:70][CH:71]([CH:72]([CH3:73])[CH3:74])[C:75](=[O:76])[OH:77])[cH:38][cH:39]3)[N:15]([c:18]3[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]3)[C:16]1=[O:17])[OH:40])[cH:9]2Participants
7
Sources & evidence
- ORD record
- ord-687717d693164661833ec4d5ac43155f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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