N,N-Dimethylglycine → Trifluoroacetic acid
Reaction equation
[CH3:1][N:2]([CH3:3])[CH2:4][C:5]([OH:6])=[O:7].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:37][C:38]1([CH3:66])[CH2:39][CH:40]=[C:41]([c:44]2[c:45]([NH:56][C:57](=[O:58])[c:59]3[nH:60][cH:61][c:62]([C:64]#[N:65])[n:63]3)[cH:46][cH:47][c:48]([CH:50]3[CH2:51][CH2:52][NH:53][CH2:54][CH2:55]3)[n:49]2)[CH2:42][CH2:43]1.[Cl:67][CH2:68][Cl:69].[F:30][C:31]([C:32](=[O:33])[OH:34])([F:35])[F:36].[O:8]=[C:9]1[N:10]([P:11]([Cl:12])([N:13]2[CH2:14][CH2:15][O:16][C:17]2=[O:18])=[O:19])[CH2:20][CH2:21][O:22]1>>[CH3:1][N:2]([CH3:3])[CH2:4][C:5](=[O:7])[N:53]1[CH2:52][CH2:51][CH:50]([c:48]2[cH:47][cH:46][c:45]([NH:56][C:57](=[O:58])[c:59]3[nH:60][cH:61][c:62]([C:64]#[N:65])[n:63]3)[c:44]([C:41]3=[CH:40][CH2:39][C:38]([CH3:37])([CH3:66])[CH2:43][CH2:42]3)[n:49]2)[CH2:55][CH2:54]1.[F:30][C:31]([C:32](=[O:33])[OH:34])([F:35])[F:36]Participants
8
Sources & evidence
- ORD record
- ord-a4969d2f1c7b49f5b899844cb4bfca08
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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