Trifluoroacetic acid → HCID 178510768, compound

HRID 2125382Notes

Reaction equation

HRID 2125382 reaction equation
[C:1]([O:2][C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH2:8][N:9]1[CH2:10][CH2:11][CH2:12][S:13][C:14](=[O:15])[CH:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[C:24](=[O:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[NH2:32])([CH3:33])([CH3:34])[CH3:35].[C:36]([CH3:37])([CH3:38])([CH3:39])[O:40][C:41]([CH:42]1[N:43]([C:47]([CH2:48][CH2:49][S:50][C:51]([CH:52]([NH2:53])[CH2:54][c:55]2[c:56]([C:61]([c:62]3[cH:63][cH:64][cH:65][cH:66][cH:67]3)=[O:68])[cH:57][cH:58][cH:59][cH:60]2)=[O:69])=[O:70])[CH2:44][CH2:45][CH2:46]1)=[O:71].[CH3:79][O:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[OH:72][C:73]([C:74]([F:75])([F:76])[F:77])=[O:78]>>[O:40]=[C:41]([CH:42]1[N:43]([C:47]([CH2:48][CH2:49][S:50][C:51]([CH:52]([NH2:53])[CH2:54][c:55]2[c:56]([C:61]([c:62]3[cH:63][cH:64][cH:65][cH:66][cH:67]3)=[O:68])[cH:57][cH:58][cH:59][cH:60]2)=[O:69])=[O:70])[CH2:44][CH2:45][CH2:46]1)[OH:71]

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 178450708HCID 178450708, compoundHCID 178450720HCID 178450720, compound

Product 1

HCID 178510768HCID 178510768, compound

Sources & evidence

ORD record
ord-8000fbc97abb49e5aabc08e6730a7a2b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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