Methanol → Trifluoroacetic acid
Reaction equation
[CH3:100][OH:101].[CH3:44][O:45][c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1-[c:52]1[n:53]2[c:54]([cH:55][n:56][c:57]([CH2:58][S:59]([O-:60])(=[O:61])=[O:62])[n:63]2)[cH:64][cH:65]1.[CH3:94][O:95][CH2:96][CH:97]([OH:98])[CH3:99].[CH:85]([N:86]([CH2:87][CH3:88])[CH:89]([CH3:90])[CH3:91])([CH3:92])[CH3:93].[F:1][c:2]1[c:3]([N:27]2[CH2:28][CH2:29][N:30]([CH2:33][CH:34]([CH3:35])[OH:36])[CH2:31][CH2:32]2)[cH:4][c:5]([F:26])[c:6]([NH:8][c:9]2[n:10][n:11]3[c:12]([cH:13][n:14]2)[cH:15][cH:16][c:17]3-[c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:7]1.[NH2:66][c:67]1[c:68]([F:69])[cH:70][c:71]([N:72]2[CH2:73][CH2:74][N:75]([CH2:76][CH:77]([OH:78])[CH3:79])[CH2:80][CH2:81]2)[c:82]([F:83])[cH:84]1.[OH:37][C:38](=[O:39])[C:40]([F:41])([F:42])[F:43]>>[F:1][c:2]1[c:3]([N:27]2[CH2:28][CH2:29][N:30]([CH2:33][CH:34]([CH3:35])[OH:36])[CH2:31][CH2:32]2)[cH:4][c:5]([F:26])[c:6]([NH:8][c:9]2[n:10][n:11]3[c:12]([cH:13][n:14]2)[cH:15][cH:16][c:17]3-[c:18]2[c:19]([O:24][CH3:25])[cH:20][cH:21][cH:22][cH:23]2)[cH:7]1.[O:37]=[C:38]([OH:39])[C:40]([F:41])([F:42])[F:43]Participants
9
Sources & evidence
- ORD record
- ord-942ee99634d64f64bf61c11964c4b7fc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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