Trifluoroacetic acid → Trifluoroacetic acid
Reaction equation
[CH2:96]([c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1)[N:103]1[CH2:104][CH:105]([NH2:108])[CH2:106][CH2:107]1.[Cl:57][c:58]1[n:59][c:60]([NH:81][CH2:82][CH:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:61]2[n:62][cH:63][n:64]([CH:67]3[CH:68]([OH:80])[CH:69]([OH:79])[CH:70]([NH:72][C:73](=[O:74])[CH:75]4[CH2:76][CH2:77][CH2:78]4)[CH2:71]3)[c:65]2[n:66]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:8][CH:9]1[CH2:10][CH2:11][N:12]([c:13]2[n:14][c:15]3[c:16]([n:17][cH:18][n:19]3[CH:20]3[CH2:21][CH:22]([NH:23][C:24](=[O:25])[CH2:26][O:27][CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[CH:35]([OH:36])[CH:37]3[OH:38])[c:39]([NH:40][CH2:41][CH:42]([c:43]3[cH:44][cH:45][cH:46][cH:47][cH:48]3)[c:49]3[cH:50][cH:51][cH:52][cH:53][cH:54]3)[n:55]2)[CH2:56]1>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[c:58]1([NH:108][CH:105]2[CH2:104][N:103]([CH2:96][c:97]3[cH:98][cH:99][cH:100][cH:101][cH:102]3)[CH2:107][CH2:106]2)[n:59][c:60]([NH:81][CH2:82][CH:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:61]2[n:62][cH:63][n:64]([CH:67]3[CH:68]([OH:80])[CH:69]([OH:79])[CH:70]([NH:72][C:73](=[O:74])[CH:75]4[CH2:76][CH2:77][CH2:78]4)[CH2:71]3)[c:65]2[n:66]1Participants
6
Sources & evidence
- ORD record
- ord-1cc06b55072242a2bac86f98cbefa126
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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