Trifluoroacetic acid → HCID 178466802, compound

HRID 198163Notes

Reaction equation

HRID 198163 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:47])[c:6]([CH2:41][CH2:42][C:43]([F:44])([F:45])[F:46])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[cH:14][c:15]([NH:21][C:22](=[O:23])[c:24]3[n:25][n:26][n:27][n:28]3[CH2:29][c:30]3[cH:31][cH:32][c:33]([O:34][CH3:35])[cH:36][cH:37]3)[c:16]([CH3:20])[cH:17][c:18]2[Br:19])[OH:38])[cH:39][cH:40]1.[CH3:55][O:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([OH:47])[c:6]([CH2:41][CH2:42][C:43]([F:44])([F:45])[F:46])[c:7]([O:8][CH2:9][CH:10]([CH2:11][O:12][c:13]2[cH:14][c:15]([NH:21][C:22](=[O:23])[c:24]3[n:25][n:26][n:27][nH:28]3)[c:16]([CH3:20])[cH:17][c:18]2[Br:19])[OH:38])[cH:39][cH:40]1

Participants

4

Reactant 3

HCID 6422Trifluoroacetic acidHCID 7519AnisoleHCID 19818608HCID 19818608, compound

Product 1

HCID 178466802HCID 178466802, compound

Sources & evidence

ORD record
ord-b4758f713d45461f99160d83fb3e9f5b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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